N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylquinoline-4-carboxamide

C20H21N3O2 — CID 99838210

IUPACN-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylquinoline-4-carboxamide
SMILESCc1ccn(C)c(=O)c1NC(=O)c1cc(C(C)C)nc2ccccc12
InChIInChI=1S/C20H21N3O2/c1-12(2)17-11-15(14-7-5-6-8-16(14)21-17)19(24)22-18-13(3)9-10-23(4)20(18)25/h5-12H,1-4H3,(H,22,24)
InChIKeyWCMGPKKXVQRKKD-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.62
Rot. Bonds3

About N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylquinoline-4-carboxamide

N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylquinoline-4-carboxamide (PubChem CID 99838210) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylquinoline-4-carboxamide
PubChem CID99838210
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylquinoline-4-carboxamide
SMILESCc1ccn(C)c(=O)c1NC(=O)c1cc(C(C)C)nc2ccccc12
InChIInChI=1S/C20H21N3O2/c1-12(2)17-11-15(14-7-5-6-8-16(14)21-17)19(24)22-18-13(3)9-10-23(4)20(18)25/h5-12H,1-4H3,(H,22,24)
InChIKeyWCMGPKKXVQRKKD-UHFFFAOYSA-N
XLogP3.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562783
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-[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-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide
CID 120829996
N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
CID 32579560
4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid
CID 120534876

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylquinoline-4-carboxamide (CID 99838210) is N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylquinoline-4-carboxamide is Cc1ccn(C)c(=O)c1NC(=O)c1cc(C(C)C)nc2ccccc12.
What is the InChIKey of N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylquinoline-4-carboxamide?
The InChIKey is WCMGPKKXVQRKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-12(2)17-11-15(14-7-5-6-8-16(14)21-17)19(24)22-18-13(3)9-10-23(4)20(18)25/h5-12H,1-4H3,(H,22,24).
What are the key properties of N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylquinoline-4-carboxamide?
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylquinoline-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 99838210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).