3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol

C100H104FN19O — CID 159566053

IUPAC3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol
SMILESC=Cc1cnc2ccc([C@H](CC)c3nc[nH]c3C)cc2c1.CCC(c1ccc2c(F)cncc2c1)c1nc[nH]c1C.CCCCC(c1nc[nH]c1C)c1cccc2ncc(C#N)cc12.Cc1[nH]cnc1C(c1ccc(CO)c2ncccc12)C(C)C.Cc1[nH]cnc1Cc1cccc2ncccc12.Cc1[nH]cnc1[C@H](C)c1ccc2cccnc2c1
InChIInChI=1S/C19H20N4.C18H21N3O.C18H19N3.C16H16FN3.C15H15N3.C14H13N3/c1-3-4-6-16(19-13(2)22-12-23-19)15-7-5-8-18-17(15)9-14(10-20)11-21-18;1-11(2)16(17-12(3)20-10-21-17)14-7-6-13(9-22)18-15(14)5-4-8-19-18;1-4-13-8-15-9-14(6-7-17(15)19-10-13)16(5-2)18-12(3)20-11-21-18;1-3-13(16-10(2)19-9-20-16)11-4-5-14-12(6-11)7-18-8-15(14)17;1-10(15-11(2)17-9-18-15)13-6-5-12-4-3-7-16-14(12)8-13;1-10-14(17-9-16-10)8-11-4-2-6-13-12(11)5-3-7-15-13/h5,7-9,11-12,16H,3-4,6H2,1-2H3,(H,22,23);4-8,10-11,16,22H,9H2,1-3H3,(H,20,21);4,6-11,16H,1,5H2,2-3H3,(H,20,21);4-9,13H,3H2,1-2H3,(H,19,20);3-10H,1-2H3,(H,17,18);2-7,9H,8H2,1H3,(H,16,17)/t;;16-;;10-;/m..0.1./s1
InChIKeyMHFALXXUXKZQIH-QCCVHUTPSA-N
MW1607.06 g/mol
LogP22.68
Rot. Bonds20

About 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol

3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol (PubChem CID 159566053) has the molecular formula C100H104FN19O and a molecular weight of 1607.06 g/mol. Its IUPAC name is 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol.

Molecular Properties

Compound Name3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol
PubChem CID159566053
Molecular FormulaC100H104FN19O
Molecular Weight1607.06 g/mol
Exact Mass1605.87
IUPAC Name3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol
SMILESC=Cc1cnc2ccc([C@H](CC)c3nc[nH]c3C)cc2c1.CCC(c1ccc2c(F)cncc2c1)c1nc[nH]c1C.CCCCC(c1nc[nH]c1C)c1cccc2ncc(C#N)cc12.Cc1[nH]cnc1C(c1ccc(CO)c2ncccc12)C(C)C.Cc1[nH]cnc1Cc1cccc2ncccc12.Cc1[nH]cnc1[C@H](C)c1ccc2cccnc2c1
InChIInChI=1S/C19H20N4.C18H21N3O.C18H19N3.C16H16FN3.C15H15N3.C14H13N3/c1-3-4-6-16(19-13(2)22-12-23-19)15-7-5-8-18-17(15)9-14(10-20)11-21-18;1-11(2)16(17-12(3)20-10-21-17)14-7-6-13(9-22)18-15(14)5-4-8-19-18;1-4-13-8-15-9-14(6-7-17(15)19-10-13)16(5-2)18-12(3)20-11-21-18;1-3-13(16-10(2)19-9-20-16)11-4-5-14-12(6-11)7-18-8-15(14)17;1-10(15-11(2)17-9-18-15)13-6-5-12-4-3-7-16-14(12)8-13;1-10-14(17-9-16-10)8-11-4-2-6-13-12(11)5-3-7-15-13/h5,7-9,11-12,16H,3-4,6H2,1-2H3,(H,22,23);4-8,10-11,16,22H,9H2,1-3H3,(H,20,21);4,6-11,16H,1,5H2,2-3H3,(H,20,21);4-9,13H,3H2,1-2H3,(H,19,20);3-10H,1-2H3,(H,17,18);2-7,9H,8H2,1H3,(H,16,17)/t;;16-;;10-;/m..0.1./s1
InChIKeyMHFALXXUXKZQIH-QCCVHUTPSA-N
XLogP22.68
TPSA293.44 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms121
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001607.06
LogP ≤ 522.68
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol?
The IUPAC name of 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol (CID 159566053) is 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol.
What is the SMILES notation for 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol?
The canonical SMILES for 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol is C=Cc1cnc2ccc([C@H](CC)c3nc[nH]c3C)cc2c1.CCC(c1ccc2c(F)cncc2c1)c1nc[nH]c1C.CCCCC(c1nc[nH]c1C)c1cccc2ncc(C#N)cc12.Cc1[nH]cnc1C(c1ccc(CO)c2ncccc12)C(C)C.Cc1[nH]cnc1Cc1cccc2ncccc12.Cc1[nH]cnc1[C@H](C)c1ccc2cccnc2c1.
What is the InChIKey of 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol?
The InChIKey is MHFALXXUXKZQIH-QCCVHUTPSA-N. The full InChI is InChI=1S/C19H20N4.C18H21N3O.C18H19N3.C16H16FN3.C15H15N3.C14H13N3/c1-3-4-6-16(19-13(2)22-12-23-19)15-7-5-8-18-17(15)9-14(10-20)11-21-18;1-11(2)16(17-12(3)20-10-21-17)14-7-6-13(9-22)18-15(14)5-4-8-19-18;1-4-13-8-15-9-14(6-7-17(15)19-10-13)16(5-2)18-12(3)20-11-21-18;1-3-13(16-10(2)19-9-20-16)11-4-5-14-12(6-11)7-18-8-15(14)17;1-10(15-11(2)17-9-18-15)13-6-5-12-4-3-7-16-14(12)8-13;1-10-14(17-9-16-10)8-11-4-2-6-13-12(11)5-3-7-15-13/h5,7-9,11-12,16H,3-4,6H2,1-2H3,(H,22,23);4-8,10-11,16,22H,9H2,1-3H3,(H,20,21);4,6-11,16H,1,5H2,2-3H3,(H,20,21);4-9,13H,3H2,1-2H3,(H,19,20);3-10H,1-2H3,(H,17,18);2-7,9H,8H2,1H3,(H,16,17)/t;;16-;;10-;/m..0.1./s1.
What are the key properties of 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol?
3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol has a molecular weight of 1607.06 g/mol, XLogP of 22.68, 20 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol is sourced from PubChem (CID 159566053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).