pyridin-2-ylmethyl N-[8-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate

C24H22ClFN4O3 — CID 134348665

IUPACpyridin-2-ylmethyl N-[8-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCN1CCC(NC(=O)OCc2ccccn2)c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c21
InChIInChI=1S/C24H22ClFN4O3/c1-30-12-10-21(29-24(32)33-14-16-5-2-3-11-27-16)17-6-4-7-18(22(17)30)23(31)28-15-8-9-20(26)19(25)13-15/h2-9,11,13,21H,10,12,14H2,1H3,(H,28,31)(H,29,32)
InChIKeyKIKIMLOXVOLDQO-UHFFFAOYSA-N
MW468.92 g/mol
LogP4.93
Rot. Bonds5

About pyridin-2-ylmethyl N-[8-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate

pyridin-2-ylmethyl N-[8-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (PubChem CID 134348665) has the molecular formula C24H22ClFN4O3 and a molecular weight of 468.92 g/mol. Its IUPAC name is pyridin-2-ylmethyl N-[8-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate.

Molecular Properties

Compound Namepyridin-2-ylmethyl N-[8-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
PubChem CID134348665
Molecular FormulaC24H22ClFN4O3
Molecular Weight468.92 g/mol
Exact Mass468.14
IUPAC Namepyridin-2-ylmethyl N-[8-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCN1CCC(NC(=O)OCc2ccccn2)c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c21
InChIInChI=1S/C24H22ClFN4O3/c1-30-12-10-21(29-24(32)33-14-16-5-2-3-11-27-16)17-6-4-7-18(22(17)30)23(31)28-15-8-9-20(26)19(25)13-15/h2-9,11,13,21H,10,12,14H2,1H3,(H,28,31)(H,29,32)
InChIKeyKIKIMLOXVOLDQO-UHFFFAOYSA-N
XLogP4.93
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.92
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-2-ylmethyl N-[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate
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(3-chloro-2-pyridinyl)methyl N-[(4S)-8-[(3,4-difluorophenyl)carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamate;hydrochloride
CID 142306109
(1-methyl-1,2,4-triazol-3-yl)methyl N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate
CID 146425392
N'-(3-chloro-4-fluorophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887200
(1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(5-methylpyrazin-2-yl)methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate;(5-methylpyrazin-2-yl)methyl imidazole-1-carboxylate;hydrochloride
CID 159868951
(4S)-4-amino-N-(3,4-difluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;(1-methylpyrazol-3-yl)methyl N-[(4S)-8-[(3,4-difluorophenyl)carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamate;(1-methylpyrazol-3-yl)methyl imidazole-1-carboxylate;hydrochloride
CID 161401572
6-amino-N-(3-chloro-4-fluorophenyl)-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxamide;(1-methylpyrazol-3-yl)methyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamate;(1-methylpyrazol-3-yl)methyl imidazole-1-carboxylate
CID 157353169
[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl] N-(pyridin-2-ylmethyl)carbamate;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane;pyridin-2-ylmethanamine
CID 160947558
(1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(5-cyano-2-pyridinyl)methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate;(5-cyano-2-pyridinyl)methyl imidazole-1-carboxylate;hydrochloride
CID 158787674
5-amino-N-(3-chloro-4-fluorophenyl)-3-[5-hydroxy-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]-1-methylpyrazole-4-carboxamide
CID 166810036
N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38898502
1-pyridin-2-ylethyl N-[(4S)-8-[(3,4-difluorophenyl)carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 139328578

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl N-[8-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The IUPAC name of pyridin-2-ylmethyl N-[8-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (CID 134348665) is pyridin-2-ylmethyl N-[8-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate.
What is the SMILES notation for pyridin-2-ylmethyl N-[8-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The canonical SMILES for pyridin-2-ylmethyl N-[8-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is CN1CCC(NC(=O)OCc2ccccn2)c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c21.
What is the InChIKey of pyridin-2-ylmethyl N-[8-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The InChIKey is KIKIMLOXVOLDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O3/c1-30-12-10-21(29-24(32)33-14-16-5-2-3-11-27-16)17-6-4-7-18(22(17)30)23(31)28-15-8-9-20(26)19(25)13-15/h2-9,11,13,21H,10,12,14H2,1H3,(H,28,31)(H,29,32).
What are the key properties of pyridin-2-ylmethyl N-[8-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
pyridin-2-ylmethyl N-[8-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate has a molecular weight of 468.92 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl N-[8-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is sourced from PubChem (CID 134348665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).