8-methyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one

C27H41N7O2 — CID 3204679

IUPAC8-methyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one
SMILESCCC(c1nnnn1C(C)(C)CC)N(CCCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C27H41N7O2/c1-6-23(25-29-30-31-34(25)27(4,5)7-2)33(13-9-12-32-14-16-36-17-15-32)19-22-18-21-11-8-10-20(3)24(21)28-26(22)35/h8,10-11,18,23H,6-7,9,12-17,19H2,1-5H3,(H,28,35)
InChIKeyYJJBWOVORJHYDT-UHFFFAOYSA-N
MW495.67 g/mol
LogP3.64
Rot. Bonds11

About 8-methyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one

8-methyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 3204679) has the molecular formula C27H41N7O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is 8-methyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one
PubChem CID3204679
Molecular FormulaC27H41N7O2
Molecular Weight495.67 g/mol
Exact Mass495.33
IUPAC Name8-methyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one
SMILESCCC(c1nnnn1C(C)(C)CC)N(CCCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C27H41N7O2/c1-6-23(25-29-30-31-34(25)27(4,5)7-2)33(13-9-12-32-14-16-36-17-15-32)19-22-18-21-11-8-10-20(3)24(21)28-26(22)35/h8,10-11,18,23H,6-7,9,12-17,19H2,1-5H3,(H,28,35)
InChIKeyYJJBWOVORJHYDT-UHFFFAOYSA-N
XLogP3.64
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.67
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 8-methyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one (CID 3204679) is 8-methyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-methyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 8-methyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one is CCC(c1nnnn1C(C)(C)CC)N(CCCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O.
What is the InChIKey of 8-methyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is YJJBWOVORJHYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N7O2/c1-6-23(25-29-30-31-34(25)27(4,5)7-2)33(13-9-12-32-14-16-36-17-15-32)19-22-18-21-11-8-10-20(3)24(21)28-26(22)35/h8,10-11,18,23H,6-7,9,12-17,19H2,1-5H3,(H,28,35).
What are the key properties of 8-methyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one?
8-methyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 495.67 g/mol, XLogP of 3.64, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-(3-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3204679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).