piperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate

C22H22ClN3O3 — CID 118597279

IUPACpiperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate
SMILESO=C(NC(c1ccccc1)c1c[nH]c2cc(Cl)ccc2c1=O)ON1CCCCC1
InChIInChI=1S/C22H22ClN3O3/c23-16-9-10-17-19(13-16)24-14-18(21(17)27)20(15-7-3-1-4-8-15)25-22(28)29-26-11-5-2-6-12-26/h1,3-4,7-10,13-14,20H,2,5-6,11-12H2,(H,24,27)(H,25,28)
InChIKeySXKOMNRHCXKEGE-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.40
Rot. Bonds4

About piperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate

piperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate (PubChem CID 118597279) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is piperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate.

Molecular Properties

Compound Namepiperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate
PubChem CID118597279
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Namepiperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate
SMILESO=C(NC(c1ccccc1)c1c[nH]c2cc(Cl)ccc2c1=O)ON1CCCCC1
InChIInChI=1S/C22H22ClN3O3/c23-16-9-10-17-19(13-16)24-14-18(21(17)27)20(15-7-3-1-4-8-15)25-22(28)29-26-11-5-2-6-12-26/h1,3-4,7-10,13-14,20H,2,5-6,11-12H2,(H,24,27)(H,25,28)
InChIKeySXKOMNRHCXKEGE-UHFFFAOYSA-N
XLogP4.40
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze piperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide
CID 123871770
(1-methylpyrazol-4-yl) N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate
CID 118597244
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 123327721
(2-morpholin-4-yl-1,3-thiazol-5-yl) N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate
CID 118597198
tert-butyl 3-[[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 71208614
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide
CID 71208128
methyl 4-[[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxylate
CID 71208737
tert-butyl N-[4-[[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamoylamino]cyclohexyl]carbamate
CID 71208469
6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide
CID 123500701
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 71208528
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-6-(4-methylsulfonylpiperidin-1-yl)pyridine-3-carboxamide
CID 123588831
(2R)-2-(4-benzhydrylpiperazin-1-yl)-2-(6-chloro-1H-indol-3-yl)acetic acid
CID 29111306

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate?
The IUPAC name of piperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate (CID 118597279) is piperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate.
What is the SMILES notation for piperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate?
The canonical SMILES for piperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate is O=C(NC(c1ccccc1)c1c[nH]c2cc(Cl)ccc2c1=O)ON1CCCCC1.
What is the InChIKey of piperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate?
The InChIKey is SXKOMNRHCXKEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c23-16-9-10-17-19(13-16)24-14-18(21(17)27)20(15-7-3-1-4-8-15)25-22(28)29-26-11-5-2-6-12-26/h1,3-4,7-10,13-14,20H,2,5-6,11-12H2,(H,24,27)(H,25,28).
What are the key properties of piperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate?
piperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate has a molecular weight of 411.89 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate is sourced from PubChem (CID 118597279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).