N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide

C20H21N3O3 — CID 71814744

IUPACN-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
SMILESCN(C)CCNC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C20H21N3O3/c1-22(2)13-12-21-19(25)17-18(24)15-10-6-7-11-16(15)23(20(17)26)14-8-4-3-5-9-14/h3-11,24H,12-13H2,1-2H3,(H,21,25)
InChIKeyPHNNMSJWFBVCLD-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.99
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide

N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide (PubChem CID 71814744) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
PubChem CID71814744
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
SMILESCN(C)CCNC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C20H21N3O3/c1-22(2)13-12-21-19(25)17-18(24)15-10-6-7-11-16(15)23(20(17)26)14-8-4-3-5-9-14/h3-11,24H,12-13H2,1-2H3,(H,21,25)
InChIKeyPHNNMSJWFBVCLD-UHFFFAOYSA-N
XLogP1.99
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
CID 54736678
N-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54712310
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54688406
N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54731614
N-(2-ethylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54731601
N-(4-ethylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54736636
2-chloro-N-[2-(diethylamino)ethyl]-1-phenylindole-3-carboxamide
CID 76852576
N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54702818
N-[2-(dimethylamino)ethyl]carbazole-9-carboxamide
CID 3027990
1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
CID 54686774
N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride
CID 56684063
prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate
CID 54737721

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide (CID 71814744) is N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide is CN(C)CCNC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide?
The InChIKey is PHNNMSJWFBVCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-22(2)13-12-21-19(25)17-18(24)15-10-6-7-11-16(15)23(20(17)26)14-8-4-3-5-9-14/h3-11,24H,12-13H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide?
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide is sourced from PubChem (CID 71814744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).