N-(2-phenylethyl)tetrazolo[1,5-a]quinoline-4-carboxamide

C18H15N5O — CID 34924999

IUPACN-(2-phenylethyl)tetrazolo[1,5-a]quinoline-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc2ccccc2n2nnnc12
InChIInChI=1S/C18H15N5O/c24-18(19-11-10-13-6-2-1-3-7-13)15-12-14-8-4-5-9-16(14)23-17(15)20-21-22-23/h1-9,12H,10-11H2,(H,19,24)
InChIKeyGICWKXGYAPQPOI-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.25
Rot. Bonds4

About N-(2-phenylethyl)tetrazolo[1,5-a]quinoline-4-carboxamide

N-(2-phenylethyl)tetrazolo[1,5-a]quinoline-4-carboxamide (PubChem CID 34924999) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(2-phenylethyl)tetrazolo[1,5-a]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)tetrazolo[1,5-a]quinoline-4-carboxamide
PubChem CID34924999
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-(2-phenylethyl)tetrazolo[1,5-a]quinoline-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc2ccccc2n2nnnc12
InChIInChI=1S/C18H15N5O/c24-18(19-11-10-13-6-2-1-3-7-13)15-12-14-8-4-5-9-16(14)23-17(15)20-21-22-23/h1-9,12H,10-11H2,(H,19,24)
InChIKeyGICWKXGYAPQPOI-UHFFFAOYSA-N
XLogP2.25
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981655
7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5074183
N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide
CID 118716205
N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55406223
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
2,4-dihydroxy-N-(2-phenylethyl)benzamide
CID 103600168
2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-phenylethyl)benzamide
CID 38112777
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
CID 22432233
(8-chlorotetrazolo[1,5-a]quinolin-4-yl) N-benzylcarbamate
CID 91499350
5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
CID 42534608
8-chloro-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 100794727

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)tetrazolo[1,5-a]quinoline-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)tetrazolo[1,5-a]quinoline-4-carboxamide (CID 34924999) is N-(2-phenylethyl)tetrazolo[1,5-a]quinoline-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)tetrazolo[1,5-a]quinoline-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)tetrazolo[1,5-a]quinoline-4-carboxamide is O=C(NCCc1ccccc1)c1cc2ccccc2n2nnnc12.
What is the InChIKey of N-(2-phenylethyl)tetrazolo[1,5-a]quinoline-4-carboxamide?
The InChIKey is GICWKXGYAPQPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c24-18(19-11-10-13-6-2-1-3-7-13)15-12-14-8-4-5-9-16(14)23-17(15)20-21-22-23/h1-9,12H,10-11H2,(H,19,24).
What are the key properties of N-(2-phenylethyl)tetrazolo[1,5-a]quinoline-4-carboxamide?
N-(2-phenylethyl)tetrazolo[1,5-a]quinoline-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)tetrazolo[1,5-a]quinoline-4-carboxamide is sourced from PubChem (CID 34924999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).