N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide

C21H21N3O2 — CID 27675446

IUPACN-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(C(C)C)nc3ccccc23)cc1
InChIInChI=1S/C21H21N3O2/c1-13(2)19-12-17(16-6-4-5-7-18(16)24-19)21(26)23-15-10-8-14(9-11-15)20(25)22-3/h4-13H,1-3H3,(H,22,25)(H,23,26)
InChIKeyPZCGBDBBQTZFGV-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.97
Rot. Bonds4

About N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide

N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide (PubChem CID 27675446) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide
PubChem CID27675446
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(C(C)C)nc3ccccc23)cc1
InChIInChI=1S/C21H21N3O2/c1-13(2)19-12-17(16-6-4-5-7-18(16)24-19)21(26)23-15-10-8-14(9-11-15)20(25)22-3/h4-13H,1-3H3,(H,22,25)(H,23,26)
InChIKeyPZCGBDBBQTZFGV-UHFFFAOYSA-N
XLogP3.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 134062952
methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate
CID 55396891
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 78823331
N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 36823243
2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide
CID 18225579
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide
CID 24516597
N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 17445154
2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide
CID 55551086
N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide
CID 120829996
N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562783
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide
CID 51207763

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide (CID 27675446) is N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide is CNC(=O)c1ccc(NC(=O)c2cc(C(C)C)nc3ccccc23)cc1.
What is the InChIKey of N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide?
The InChIKey is PZCGBDBBQTZFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13(2)19-12-17(16-6-4-5-7-18(16)24-19)21(26)23-15-10-8-14(9-11-15)20(25)22-3/h4-13H,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide?
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 27675446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).