methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate

C22H21N3O3 — CID 60578469

IUPACmethyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C22H21N3O3/c1-25(22(27)28-2)16-11-9-15(10-12-16)23-21(26)18-13-20(14-7-8-14)24-19-6-4-3-5-17(18)19/h3-6,9-14H,7-8H2,1-2H3,(H,23,26)
InChIKeyUJIWKCAOFITPDD-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.57
Rot. Bonds4

About methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate

methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate (PubChem CID 60578469) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate
PubChem CID60578469
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Namemethyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C22H21N3O3/c1-25(22(27)28-2)16-11-9-15(10-12-16)23-21(26)18-13-20(14-7-8-14)24-19-6-4-3-5-17(18)19/h3-6,9-14H,7-8H2,1-2H3,(H,23,26)
InChIKeyUJIWKCAOFITPDD-UHFFFAOYSA-N
XLogP4.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide
CID 30456130
2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide
CID 31745720
2-cyclopropyl-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]quinoline-4-carboxamide
CID 71888696
[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate
CID 40763723
methyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate
CID 94650278
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 9040689
2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide
CID 112796017
2-cyclopropyl-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 9209411
2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 9483435
[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopropylquinoline-4-carboxylate
CID 55601388
(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid
CID 119360414

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate?
The IUPAC name of methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate (CID 60578469) is methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate is COC(=O)N(C)c1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1.
What is the InChIKey of methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate?
The InChIKey is UJIWKCAOFITPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-25(22(27)28-2)16-11-9-15(10-12-16)23-21(26)18-13-20(14-7-8-14)24-19-6-4-3-5-17(18)19/h3-6,9-14H,7-8H2,1-2H3,(H,23,26).
What are the key properties of methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate?
methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate has a molecular weight of 375.43 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate is sourced from PubChem (CID 60578469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).