(1-quinolin-4-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate

C23H25N3O2 — CID 58770615

IUPAC(1-quinolin-4-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)OC2CCN(c3ccnc4ccccc34)C2)cc1
InChIInChI=1S/C23H25N3O2/c1-16(2)17-7-9-18(10-8-17)25-23(27)28-19-12-14-26(15-19)22-11-13-24-21-6-4-3-5-20(21)22/h3-11,13,16,19H,12,14-15H2,1-2H3,(H,25,27)
InChIKeyHNPAYXLQCIYPHS-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.19
Rot. Bonds4

About (1-quinolin-4-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate

(1-quinolin-4-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate (PubChem CID 58770615) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (1-quinolin-4-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Name(1-quinolin-4-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate
PubChem CID58770615
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(1-quinolin-4-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)OC2CCN(c3ccnc4ccccc34)C2)cc1
InChIInChI=1S/C23H25N3O2/c1-16(2)17-7-9-18(10-8-17)25-23(27)28-19-12-14-26(15-19)22-11-13-24-21-6-4-3-5-20(21)22/h3-11,13,16,19H,12,14-15H2,1-2H3,(H,25,27)
InChIKeyHNPAYXLQCIYPHS-UHFFFAOYSA-N
XLogP5.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(Dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286306
US20230348462, Example 52
CID 163286355
Tert-butyl 4-[[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]carbamoylamino]piperidine-1-carboxylate
CID 163289553
3-(3-methyl-1H-indol-1-yl)-N-(4-morpholinophenyl)propanamide
CID 2810627
1-[2-(Dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-1-methylurea
CID 168284896
N-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11271956
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-3-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 135141501
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 135141503
tert-butyl N-[1-[[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]carbamoyl]piperidin-4-yl]carbamate
CID 163286336
N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide
CID 163286340
4-methyl-N-({1-[2-(morpholin-4-yl)ethyl]-1H-indol-3-yl}methyl)aniline, 10
CID 44603604
2-[N-(2-hydroxyethyl)-4-[[4-[(1-methylquinolin-1-ium-4-yl)amino]phenyl]methyl]anilino]ethanol
CID 44286421

Frequently Asked Questions

What is the IUPAC name of (1-quinolin-4-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate?
The IUPAC name of (1-quinolin-4-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate (CID 58770615) is (1-quinolin-4-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate.
What is the SMILES notation for (1-quinolin-4-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate?
The canonical SMILES for (1-quinolin-4-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate is CC(C)c1ccc(NC(=O)OC2CCN(c3ccnc4ccccc34)C2)cc1.
What is the InChIKey of (1-quinolin-4-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate?
The InChIKey is HNPAYXLQCIYPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16(2)17-7-9-18(10-8-17)25-23(27)28-19-12-14-26(15-19)22-11-13-24-21-6-4-3-5-20(21)22/h3-11,13,16,19H,12,14-15H2,1-2H3,(H,25,27).
What are the key properties of (1-quinolin-4-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate?
(1-quinolin-4-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate has a molecular weight of 375.47 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-quinolin-4-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 58770615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).