2-(dimethylamino)ethyl N-[6-chloro-1-(7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazolo[4,3-c]pyridin-3-yl]carbamate

C21H23ClN6O4 — CID 171065223

IUPAC2-(dimethylamino)ethyl N-[6-chloro-1-(7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazolo[4,3-c]pyridin-3-yl]carbamate
SMILESCOc1cc2c(cc1-n1nc(NC(=O)OCCN(C)C)c3cnc(Cl)cc31)CCC(=O)N2
InChIInChI=1S/C21H23ClN6O4/c1-27(2)6-7-32-21(30)25-20-13-11-23-18(22)10-15(13)28(26-20)16-8-12-4-5-19(29)24-14(12)9-17(16)31-3/h8-11H,4-7H2,1-3H3,(H,24,29)(H,25,26,30)
InChIKeyZUKIRFUJPZVRTF-UHFFFAOYSA-N
MW458.91 g/mol
LogP3.08
Rot. Bonds6

About 2-(dimethylamino)ethyl N-[6-chloro-1-(7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazolo[4,3-c]pyridin-3-yl]carbamate

2-(dimethylamino)ethyl N-[6-chloro-1-(7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazolo[4,3-c]pyridin-3-yl]carbamate (PubChem CID 171065223) has the molecular formula C21H23ClN6O4 and a molecular weight of 458.91 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl N-[6-chloro-1-(7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazolo[4,3-c]pyridin-3-yl]carbamate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl N-[6-chloro-1-(7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazolo[4,3-c]pyridin-3-yl]carbamate
PubChem CID171065223
Molecular FormulaC21H23ClN6O4
Molecular Weight458.91 g/mol
Exact Mass458.15
IUPAC Name2-(dimethylamino)ethyl N-[6-chloro-1-(7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazolo[4,3-c]pyridin-3-yl]carbamate
SMILESCOc1cc2c(cc1-n1nc(NC(=O)OCCN(C)C)c3cnc(Cl)cc31)CCC(=O)N2
InChIInChI=1S/C21H23ClN6O4/c1-27(2)6-7-32-21(30)25-20-13-11-23-18(22)10-15(13)28(26-20)16-8-12-4-5-19(29)24-14(12)9-17(16)31-3/h8-11H,4-7H2,1-3H3,(H,24,29)(H,25,26,30)
InChIKeyZUKIRFUJPZVRTF-UHFFFAOYSA-N
XLogP3.08
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.91
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)ethyl N-[6-chloro-1-(7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazolo[4,3-c]pyridin-3-yl]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

tert-butyl 7-[3-(2-aminoethoxycarbonylamino)-6-chloropyrazolo[4,3-c]pyridin-1-yl]-6-methoxy-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 171065254
4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide
CID 174297762
tert-butyl N-[1-(4-amino-2-methoxyphenyl)-6-chloropyrazolo[4,3-c]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]carbamate
CID 165125866
ethyl 6-chloro-1-[4-(methanesulfonamido)-2-methoxyphenyl]pyrazolo[4,3-c]pyridine-3-carboxylate
CID 165125959
tert-butyl 7-[3-(2-bromoethylcarbamoyl)-6-chloropyrazolo[4,3-c]pyridin-1-yl]-6-methoxy-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 176901344
5-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazine-2-carboxamide
CID 103817140
7-amino-6-(3,5-diethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82696351
6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103401017
7-amino-6-(3,4,5-trimethylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 61225923
N-(6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1-oxo-1,4-thiazinane-4-carboxamide
CID 127888416
N-(4-chloro-2,5-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24531669
3,4-dimethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571300

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl N-[6-chloro-1-(7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazolo[4,3-c]pyridin-3-yl]carbamate?
The IUPAC name of 2-(dimethylamino)ethyl N-[6-chloro-1-(7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazolo[4,3-c]pyridin-3-yl]carbamate (CID 171065223) is 2-(dimethylamino)ethyl N-[6-chloro-1-(7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazolo[4,3-c]pyridin-3-yl]carbamate.
What is the SMILES notation for 2-(dimethylamino)ethyl N-[6-chloro-1-(7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazolo[4,3-c]pyridin-3-yl]carbamate?
The canonical SMILES for 2-(dimethylamino)ethyl N-[6-chloro-1-(7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazolo[4,3-c]pyridin-3-yl]carbamate is COc1cc2c(cc1-n1nc(NC(=O)OCCN(C)C)c3cnc(Cl)cc31)CCC(=O)N2.
What is the InChIKey of 2-(dimethylamino)ethyl N-[6-chloro-1-(7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazolo[4,3-c]pyridin-3-yl]carbamate?
The InChIKey is ZUKIRFUJPZVRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O4/c1-27(2)6-7-32-21(30)25-20-13-11-23-18(22)10-15(13)28(26-20)16-8-12-4-5-19(29)24-14(12)9-17(16)31-3/h8-11H,4-7H2,1-3H3,(H,24,29)(H,25,26,30).
What are the key properties of 2-(dimethylamino)ethyl N-[6-chloro-1-(7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazolo[4,3-c]pyridin-3-yl]carbamate?
2-(dimethylamino)ethyl N-[6-chloro-1-(7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazolo[4,3-c]pyridin-3-yl]carbamate has a molecular weight of 458.91 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl N-[6-chloro-1-(7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazolo[4,3-c]pyridin-3-yl]carbamate is sourced from PubChem (CID 171065223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).