N,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide

C21H22N2O2 — CID 10854189

IUPACN,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide
SMILESCCN(CC)C(=O)c1c(CO)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C21H22N2O2/c1-3-23(4-2)21(25)20-18(14-24)22-17-13-9-8-12-16(17)19(20)15-10-6-5-7-11-15/h5-13,24H,3-4,14H2,1-2H3
InChIKeyBBJJPVZDMTYNCV-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.88
Rot. Bonds5

About N,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide

N,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide (PubChem CID 10854189) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide
PubChem CID10854189
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide
SMILESCCN(CC)C(=O)c1c(CO)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C21H22N2O2/c1-3-23(4-2)21(25)20-18(14-24)22-17-13-9-8-12-16(17)19(20)15-10-6-5-7-11-15/h5-13,24H,3-4,14H2,1-2H3
InChIKeyBBJJPVZDMTYNCV-UHFFFAOYSA-N
XLogP3.88
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2,4-dimethylquinoline-3-carboxamide
CID 10824990
N,N-diethyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4199357
N,N-dipropylacridine-9-carboxamide
CID 170440983
N,N-diethyl-3-phenylquinoline-2-carboxamide
CID 24845781
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
N,N-diethyl-3-methoxyquinoline-4-carboxamide
CID 110855209
4-phenylquinoline-2,3-dicarboxylic acid
CID 23469806
2-amino-N,N-diethylquinoline-4-carboxamide
CID 62155871
methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate
CID 18198896
2-amino-N-ethyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide
CID 143745283
2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide
CID 82056975
methyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate
CID 46538622

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide?
The IUPAC name of N,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide (CID 10854189) is N,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide?
The canonical SMILES for N,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide is CCN(CC)C(=O)c1c(CO)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of N,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide?
The InChIKey is BBJJPVZDMTYNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-23(4-2)21(25)20-18(14-24)22-17-13-9-8-12-16(17)19(20)15-10-6-5-7-11-15/h5-13,24H,3-4,14H2,1-2H3.
What are the key properties of N,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide?
N,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide is sourced from PubChem (CID 10854189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).