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

C22H23N3O2 — CID 134062952

IUPACN-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2cc(C(C)C)nc3ccccc23)cc1
InChIInChI=1S/C22H23N3O2/c1-14(2)20-13-18(17-6-4-5-7-19(17)25-20)22(27)24-16-10-8-15(9-11-16)12-21(26)23-3/h4-11,13-14H,12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyPDYZYWXYYBQBSR-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.90
Rot. Bonds5

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

N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide (PubChem CID 134062952) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide
PubChem CID134062952
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2cc(C(C)C)nc3ccccc23)cc1
InChIInChI=1S/C22H23N3O2/c1-14(2)20-13-18(17-6-4-5-7-19(17)25-20)22(27)24-16-10-8-15(9-11-16)12-21(26)23-3/h4-11,13-14H,12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyPDYZYWXYYBQBSR-UHFFFAOYSA-N
XLogP3.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 27675446
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide
CID 26996817
N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 78823331
N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 36823243
methyl 2-[[4-[(2-propan-2-ylquinoline-4-carbonyl)amino]benzoyl]amino]acetate
CID 55396891
2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide
CID 18225579
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-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
CID 32579560
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-propan-2-ylquinoline-4-carboxamide
CID 18198200

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide (CID 134062952) is N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide is CNC(=O)Cc1ccc(NC(=O)c2cc(C(C)C)nc3ccccc23)cc1.
What is the InChIKey of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide?
The InChIKey is PDYZYWXYYBQBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14(2)20-13-18(17-6-4-5-7-19(17)25-20)22(27)24-16-10-8-15(9-11-16)12-21(26)23-3/h4-11,13-14H,12H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide?
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 134062952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).