N-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-1H-quinolin-7-yl]-4-phenylpiperazine-1-carboxamide

C27H35N5O2 — CID 66718604

IUPACN-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-1H-quinolin-7-yl]-4-phenylpiperazine-1-carboxamide
SMILESCCN(CC)CCc1c(C)c2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C27H35N5O2/c1-4-30(5-2)14-13-24-20(3)23-12-11-21(19-25(23)29-26(24)33)28-27(34)32-17-15-31(16-18-32)22-9-7-6-8-10-22/h6-12,19H,4-5,13-18H2,1-3H3,(H,28,34)(H,29,33)
InChIKeySJDMUMDEWSBHIX-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.07
Rot. Bonds7

About N-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-1H-quinolin-7-yl]-4-phenylpiperazine-1-carboxamide

N-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-1H-quinolin-7-yl]-4-phenylpiperazine-1-carboxamide (PubChem CID 66718604) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-1H-quinolin-7-yl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-1H-quinolin-7-yl]-4-phenylpiperazine-1-carboxamide
PubChem CID66718604
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC NameN-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-1H-quinolin-7-yl]-4-phenylpiperazine-1-carboxamide
SMILESCCN(CC)CCc1c(C)c2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C27H35N5O2/c1-4-30(5-2)14-13-24-20(3)23-12-11-21(19-25(23)29-26(24)33)28-27(34)32-17-15-31(16-18-32)22-9-7-6-8-10-22/h6-12,19H,4-5,13-18H2,1-3H3,(H,28,34)(H,29,33)
InChIKeySJDMUMDEWSBHIX-UHFFFAOYSA-N
XLogP4.07
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-2-oxo-3-[2-(4-phenylpiperazin-1-yl)ethyl]chromen-7-yl]-4-phenylpiperazine-1-carboxamide
CID 154147659
N-[3-methyl-4-(propanoylamino)phenyl]-4-phenylpiperazine-1-carboxamide
CID 51116419
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
N-[4-[(2S)-butan-2-yl]phenyl]-4-phenylpiperazine-1-carboxamide
CID 40635402
4-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide
CID 60611911
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide
CID 1056962
N-(3-amino-4-oxo-2-phenyl-5H-pyrazolo[4,3-c]quinolin-7-yl)-2-(diethylamino)acetamide
CID 136624521
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 51118836
(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 113204223
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-1H-quinolin-7-yl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-1H-quinolin-7-yl]-4-phenylpiperazine-1-carboxamide (CID 66718604) is N-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-1H-quinolin-7-yl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-1H-quinolin-7-yl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-1H-quinolin-7-yl]-4-phenylpiperazine-1-carboxamide is CCN(CC)CCc1c(C)c2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2[nH]c1=O.
What is the InChIKey of N-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-1H-quinolin-7-yl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is SJDMUMDEWSBHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-4-30(5-2)14-13-24-20(3)23-12-11-21(19-25(23)29-26(24)33)28-27(34)32-17-15-31(16-18-32)22-9-7-6-8-10-22/h6-12,19H,4-5,13-18H2,1-3H3,(H,28,34)(H,29,33).
What are the key properties of N-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-1H-quinolin-7-yl]-4-phenylpiperazine-1-carboxamide?
N-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-1H-quinolin-7-yl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-1H-quinolin-7-yl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 66718604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).