6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline

C18H16ClN5 — CID 44580826

IUPAC6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline
SMILESCc1nc2ccc(Cl)c(-n3ccnc3)c2cc1CCn1ccnc1
InChIInChI=1S/C18H16ClN5/c1-13-14(4-7-23-8-5-20-11-23)10-15-17(22-13)3-2-16(19)18(15)24-9-6-21-12-24/h2-3,5-6,8-12H,4,7H2,1H3
InChIKeyIYLACPJLCQDSFP-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.82
Rot. Bonds4

About 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline

6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline (PubChem CID 44580826) has the molecular formula C18H16ClN5 and a molecular weight of 337.81 g/mol. Its IUPAC name is 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline.

Molecular Properties

Compound Name6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline
PubChem CID44580826
Molecular FormulaC18H16ClN5
Molecular Weight337.81 g/mol
Exact Mass337.11
IUPAC Name6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline
SMILESCc1nc2ccc(Cl)c(-n3ccnc3)c2cc1CCn1ccnc1
InChIInChI=1S/C18H16ClN5/c1-13-14(4-7-23-8-5-20-11-23)10-15-17(22-13)3-2-16(19)18(15)24-9-6-21-12-24/h2-3,5-6,8-12H,4,7H2,1H3
InChIKeyIYLACPJLCQDSFP-UHFFFAOYSA-N
XLogP3.82
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-6-methylphenyl)-12-(4-methylpiperazin-1-yl)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 9866128
7-N-(2-chloro-6-methylphenyl)-12-N,12-N-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine
CID 11175620
N-(2-chloro-6-methylphenyl)-8-(4-methylpiperazin-1-yl)imidazo[1,5-a]quinoxalin-4-amine
CID 21994789
8-Chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline
CID 142423813
8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 664853
2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine
CID 132274773
7-chloro-N-[[1-methyl-4-phenyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-yl]methyl]quinolin-4-amine
CID 71449219
7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
CID 71452837
7-chloro-N-[(1-methyl-4-phenyl-imidazol-2-yl)methyl]quinolin-4-amine
CID 71461746
9-Chloro-6-ethyl-6H-indolo(2,3-b)quinoxaline
CID 1523680
N-(2-chloro-6-methylphenyl)-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 9796690
N-(2-chloro-6-methylphenyl)-12-imidazol-1-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 9799792

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline?
The IUPAC name of 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline (CID 44580826) is 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline.
What is the SMILES notation for 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline?
The canonical SMILES for 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline is Cc1nc2ccc(Cl)c(-n3ccnc3)c2cc1CCn1ccnc1.
What is the InChIKey of 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline?
The InChIKey is IYLACPJLCQDSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5/c1-13-14(4-7-23-8-5-20-11-23)10-15-17(22-13)3-2-16(19)18(15)24-9-6-21-12-24/h2-3,5-6,8-12H,4,7H2,1H3.
What are the key properties of 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline?
6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline has a molecular weight of 337.81 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline is sourced from PubChem (CID 44580826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).