N-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide

C25H27N5O3 — CID 3216791

IUPACN-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cc3ccc(C)cc3n3nnnc23)C2CCCC2)c1
InChIInChI=1S/C25H27N5O3/c1-16-8-9-17-11-19(24-26-27-28-30(24)23(17)10-16)15-29(20-6-4-5-7-20)25(31)18-12-21(32-2)14-22(13-18)33-3/h8-14,20H,4-7,15H2,1-3H3
InChIKeyNAYJEQNWCIWPNH-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.19
Rot. Bonds6

About N-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide

N-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide (PubChem CID 3216791) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
PubChem CID3216791
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cc3ccc(C)cc3n3nnnc23)C2CCCC2)c1
InChIInChI=1S/C25H27N5O3/c1-16-8-9-17-11-19(24-26-27-28-30(24)23(17)10-16)15-29(20-6-4-5-7-20)25(31)18-12-21(32-2)14-22(13-18)33-3/h8-14,20H,4-7,15H2,1-3H3
InChIKeyNAYJEQNWCIWPNH-UHFFFAOYSA-N
XLogP4.19
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide
CID 3866532
N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3216808
3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 1459509
N-cyclohexyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide
CID 1459626
N-cyclopentyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide
CID 1459619
3-butyl-1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
CID 3221115
1-cyclopentyl-3-(2-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
CID 1466341
N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide
CID 3216736
1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 7442680
1-cyclopentyl-3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
CID 1445458
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1432131
3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
CID 6498545

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide?
The IUPAC name of N-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide (CID 3216791) is N-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide.
What is the SMILES notation for N-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide?
The canonical SMILES for N-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide is COc1cc(OC)cc(C(=O)N(Cc2cc3ccc(C)cc3n3nnnc23)C2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide?
The InChIKey is NAYJEQNWCIWPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-16-8-9-17-11-19(24-26-27-28-30(24)23(17)10-16)15-29(20-6-4-5-7-20)25(31)18-12-21(32-2)14-22(13-18)33-3/h8-14,20H,4-7,15H2,1-3H3.
What are the key properties of N-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide?
N-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide has a molecular weight of 445.52 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide is sourced from PubChem (CID 3216791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).