N-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide

C23H23N5O2 — CID 43813502

IUPACN-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide
SMILESCCOc1ccc2c(c1)cc(CN(Cc1ccccc1)C(=O)C1CC1)c1nnnn12
InChIInChI=1S/C23H23N5O2/c1-2-30-20-10-11-21-18(13-20)12-19(22-24-25-26-28(21)22)15-27(23(29)17-8-9-17)14-16-6-4-3-5-7-16/h3-7,10-13,17H,2,8-9,14-15H2,1H3
InChIKeyCTRAHDXRBMWCJM-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.62
Rot. Bonds7

About N-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide

N-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide (PubChem CID 43813502) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide
PubChem CID43813502
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide
SMILESCCOc1ccc2c(c1)cc(CN(Cc1ccccc1)C(=O)C1CC1)c1nnnn12
InChIInChI=1S/C23H23N5O2/c1-2-30-20-10-11-21-18(13-20)12-19(22-24-25-26-28(21)22)15-27(23(29)17-8-9-17)14-16-6-4-3-5-7-16/h3-7,10-13,17H,2,8-9,14-15H2,1H3
InChIKeyCTRAHDXRBMWCJM-UHFFFAOYSA-N
XLogP3.62
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 3216780
N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466370
N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
CID 1459648
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1459629
N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 43813460
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride
CID 171668574
(4-ethyltetrazolo[1,5-a]quinolin-7-yl)-(4-methoxycyclohexyl)methanone
CID 11382171
3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 3216762
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide
CID 43813555
N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
CID 43813550
2-chloro-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1466395
N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 5020448

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide (CID 43813502) is N-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide is CCOc1ccc2c(c1)cc(CN(Cc1ccccc1)C(=O)C1CC1)c1nnnn12.
What is the InChIKey of N-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide?
The InChIKey is CTRAHDXRBMWCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-2-30-20-10-11-21-18(13-20)12-19(22-24-25-26-28(21)22)15-27(23(29)17-8-9-17)14-16-6-4-3-5-7-16/h3-7,10-13,17H,2,8-9,14-15H2,1H3.
What are the key properties of N-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide?
N-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 43813502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).