7-(6-chloro-2-pyridinyl)-4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one

C24H21ClN4O4 — CID 89107520

IUPAC7-(6-chloro-2-pyridinyl)-4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2c(c1)CN(C(=O)CN1C(=O)COc3cc(-c4cccc(Cl)n4)cnc31)CC2
InChIInChI=1S/C24H21ClN4O4/c1-32-18-6-5-15-7-8-28(12-17(15)9-18)22(30)13-29-23(31)14-33-20-10-16(11-26-24(20)29)19-3-2-4-21(25)27-19/h2-6,9-11H,7-8,12-14H2,1H3
InChIKeyWKELOJJHEGKAOF-UHFFFAOYSA-N
MW464.91 g/mol
LogP3.12
Rot. Bonds4

About 7-(6-chloro-2-pyridinyl)-4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one

7-(6-chloro-2-pyridinyl)-4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 89107520) has the molecular formula C24H21ClN4O4 and a molecular weight of 464.91 g/mol. Its IUPAC name is 7-(6-chloro-2-pyridinyl)-4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-(6-chloro-2-pyridinyl)-4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID89107520
Molecular FormulaC24H21ClN4O4
Molecular Weight464.91 g/mol
Exact Mass464.13
IUPAC Name7-(6-chloro-2-pyridinyl)-4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2c(c1)CN(C(=O)CN1C(=O)COc3cc(-c4cccc(Cl)n4)cnc31)CC2
InChIInChI=1S/C24H21ClN4O4/c1-32-18-6-5-15-7-8-28(12-17(15)9-18)22(30)13-29-23(31)14-33-20-10-16(11-26-24(20)29)19-3-2-4-21(25)27-19/h2-6,9-11H,7-8,12-14H2,1H3
InChIKeyWKELOJJHEGKAOF-UHFFFAOYSA-N
XLogP3.12
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-(6-chloro-2-pyridinyl)-4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-phenyl-3,4-dihydro-1,8-naphthyridin-2-one
CID 68518678
7-(3,5-dichlorophenyl)-4-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 44621518
1-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(4-methylcyclohexa-1,5-dien-1-yl)oxy-3,4-dihydro-1,8-naphthyridin-2-one
CID 91352897
7-(3,5-dichlorophenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 44621471
4-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 97280605
7-(3,5-dichlorophenyl)-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 45107443
2-(2,5-dichlorophenyl)-1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86874247
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoindole-1,3-dione
CID 18776691
1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylphenoxy)ethanone
CID 110726113
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N,N-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53004303
4-[3-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-1,4-benzoxazin-3-one
CID 126780631
6-(3-chloro-4-fluorophenyl)-1-[2-(6-methoxy-4-methyl-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one
CID 70927472

Frequently Asked Questions

What is the IUPAC name of 7-(6-chloro-2-pyridinyl)-4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-(6-chloro-2-pyridinyl)-4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one (CID 89107520) is 7-(6-chloro-2-pyridinyl)-4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-(6-chloro-2-pyridinyl)-4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-(6-chloro-2-pyridinyl)-4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2c(c1)CN(C(=O)CN1C(=O)COc3cc(-c4cccc(Cl)n4)cnc31)CC2.
What is the InChIKey of 7-(6-chloro-2-pyridinyl)-4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is WKELOJJHEGKAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4/c1-32-18-6-5-15-7-8-28(12-17(15)9-18)22(30)13-29-23(31)14-33-20-10-16(11-26-24(20)29)19-3-2-4-21(25)27-19/h2-6,9-11H,7-8,12-14H2,1H3.
What are the key properties of 7-(6-chloro-2-pyridinyl)-4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
7-(6-chloro-2-pyridinyl)-4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 464.91 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloro-2-pyridinyl)-4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 89107520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).