6-chloro-N-(cyclohexylmethyl)-2-[3-(2H-tetrazol-5-yl)azetidin-1-yl]quinoline-5-carboxamide

C21H24ClN7O — CID 11750655

IUPAC6-chloro-N-(cyclohexylmethyl)-2-[3-(2H-tetrazol-5-yl)azetidin-1-yl]quinoline-5-carboxamide
SMILESO=C(NCC1CCCCC1)c1c(Cl)ccc2nc(N3CC(c4nn[nH]n4)C3)ccc12
InChIInChI=1S/C21H24ClN7O/c22-16-7-8-17-15(19(16)21(30)23-10-13-4-2-1-3-5-13)6-9-18(24-17)29-11-14(12-29)20-25-27-28-26-20/h6-9,13-14H,1-5,10-12H2,(H,23,30)(H,25,26,27,28)
InChIKeySHGCFVXNZKPHLW-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.32
Rot. Bonds5

About 6-chloro-N-(cyclohexylmethyl)-2-[3-(2H-tetrazol-5-yl)azetidin-1-yl]quinoline-5-carboxamide

6-chloro-N-(cyclohexylmethyl)-2-[3-(2H-tetrazol-5-yl)azetidin-1-yl]quinoline-5-carboxamide (PubChem CID 11750655) has the molecular formula C21H24ClN7O and a molecular weight of 425.92 g/mol. Its IUPAC name is 6-chloro-N-(cyclohexylmethyl)-2-[3-(2H-tetrazol-5-yl)azetidin-1-yl]quinoline-5-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(cyclohexylmethyl)-2-[3-(2H-tetrazol-5-yl)azetidin-1-yl]quinoline-5-carboxamide
PubChem CID11750655
Molecular FormulaC21H24ClN7O
Molecular Weight425.92 g/mol
Exact Mass425.17
IUPAC Name6-chloro-N-(cyclohexylmethyl)-2-[3-(2H-tetrazol-5-yl)azetidin-1-yl]quinoline-5-carboxamide
SMILESO=C(NCC1CCCCC1)c1c(Cl)ccc2nc(N3CC(c4nn[nH]n4)C3)ccc12
InChIInChI=1S/C21H24ClN7O/c22-16-7-8-17-15(19(16)21(30)23-10-13-4-2-1-3-5-13)6-9-18(24-17)29-11-14(12-29)20-25-27-28-26-20/h6-9,13-14H,1-5,10-12H2,(H,23,30)(H,25,26,27,28)
InChIKeySHGCFVXNZKPHLW-UHFFFAOYSA-N
XLogP3.32
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2H-azet-1-yl)-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide
CID 141107223
6-chloro-N-(cyclohexylmethyl)-2-[(3S)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]quinoline-5-carboxamide;hydrochloride
CID 68809668
ethyl 1-[6-chloro-5-(cyclohexylmethylcarbamoyl)quinolin-2-yl]piperidine-4-carboxylate
CID 68809358
6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine
CID 144973424
6-chloro-N-[(4,4-difluorocyclohexyl)methyl]-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-5-carboxamide
CID 118566547
6-chloro-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[(3-methylcyclohexyl)methyl]quinoline-5-carboxamide
CID 144973429
6-chloro-2-[4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[(3-methylcyclohexyl)methyl]quinoline-5-carboxamide
CID 144973451
6-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-2-[(3S)-3-fluoropyrrolidin-1-yl]quinoline-5-carboxamide
CID 118566652
6-chloro-N-[(4,4-difluorocyclohexyl)methyl]-2-(3-oxocyclopentyl)quinoline-5-carboxamide
CID 118569626
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide
CID 11222925
6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid
CID 118559729
N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide
CID 142972253

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclohexylmethyl)-2-[3-(2H-tetrazol-5-yl)azetidin-1-yl]quinoline-5-carboxamide?
The IUPAC name of 6-chloro-N-(cyclohexylmethyl)-2-[3-(2H-tetrazol-5-yl)azetidin-1-yl]quinoline-5-carboxamide (CID 11750655) is 6-chloro-N-(cyclohexylmethyl)-2-[3-(2H-tetrazol-5-yl)azetidin-1-yl]quinoline-5-carboxamide.
What is the SMILES notation for 6-chloro-N-(cyclohexylmethyl)-2-[3-(2H-tetrazol-5-yl)azetidin-1-yl]quinoline-5-carboxamide?
The canonical SMILES for 6-chloro-N-(cyclohexylmethyl)-2-[3-(2H-tetrazol-5-yl)azetidin-1-yl]quinoline-5-carboxamide is O=C(NCC1CCCCC1)c1c(Cl)ccc2nc(N3CC(c4nn[nH]n4)C3)ccc12.
What is the InChIKey of 6-chloro-N-(cyclohexylmethyl)-2-[3-(2H-tetrazol-5-yl)azetidin-1-yl]quinoline-5-carboxamide?
The InChIKey is SHGCFVXNZKPHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN7O/c22-16-7-8-17-15(19(16)21(30)23-10-13-4-2-1-3-5-13)6-9-18(24-17)29-11-14(12-29)20-25-27-28-26-20/h6-9,13-14H,1-5,10-12H2,(H,23,30)(H,25,26,27,28).
What are the key properties of 6-chloro-N-(cyclohexylmethyl)-2-[3-(2H-tetrazol-5-yl)azetidin-1-yl]quinoline-5-carboxamide?
6-chloro-N-(cyclohexylmethyl)-2-[3-(2H-tetrazol-5-yl)azetidin-1-yl]quinoline-5-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclohexylmethyl)-2-[3-(2H-tetrazol-5-yl)azetidin-1-yl]quinoline-5-carboxamide is sourced from PubChem (CID 11750655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).