2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide

C22H19N3O — CID 18225579

IUPAC2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cnc3ccccc3c2)c2ccccc2n1
InChIInChI=1S/C22H19N3O/c1-14(2)21-12-18(17-8-4-6-10-20(17)25-21)22(26)24-16-11-15-7-3-5-9-19(15)23-13-16/h3-14H,1-2H3,(H,24,26)
InChIKeyCZGLNBMCYCVXLT-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.16
Rot. Bonds3

About 2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide

2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide (PubChem CID 18225579) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide
PubChem CID18225579
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cnc3ccccc3c2)c2ccccc2n1
InChIInChI=1S/C22H19N3O/c1-14(2)21-12-18(17-8-4-6-10-20(17)25-21)22(26)24-16-11-15-7-3-5-9-19(15)23-13-16/h3-14H,1-2H3,(H,24,26)
InChIKeyCZGLNBMCYCVXLT-UHFFFAOYSA-N
XLogP5.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 78823331
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 36823243
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 27675446
N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 17445154
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 134062952
2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide
CID 55551086
N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562783
methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate
CID 55396891
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-propan-2-ylquinoline-4-carboxamide
CID 18198200
6-(methylamino)-N-quinolin-3-ylpyridine-3-carboxamide
CID 62808644
2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
CID 18146468

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide?
The IUPAC name of 2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide (CID 18225579) is 2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide is CC(C)c1cc(C(=O)Nc2cnc3ccccc3c2)c2ccccc2n1.
What is the InChIKey of 2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide?
The InChIKey is CZGLNBMCYCVXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-14(2)21-12-18(17-8-4-6-10-20(17)25-21)22(26)24-16-11-15-7-3-5-9-19(15)23-13-16/h3-14H,1-2H3,(H,24,26).
What are the key properties of 2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide?
2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 18225579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).