9-acetyl-2-chloro-6-(4-chloro-1,3-thiazol-5-yl)-3-(cyclopropylmethoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one

C21H16Cl2N2O4S — CID 159734846

IUPAC9-acetyl-2-chloro-6-(4-chloro-1,3-thiazol-5-yl)-3-(cyclopropylmethoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one
SMILESCC(=O)c1cn2c(cc1=O)-c1cc(Cl)c(OCC3CC3)cc1OC2c1scnc1Cl
InChIInChI=1S/C21H16Cl2N2O4S/c1-10(26)13-7-25-15(5-16(13)27)12-4-14(22)18(28-8-11-2-3-11)6-17(12)29-21(25)19-20(23)24-9-30-19/h4-7,9,11,21H,2-3,8H2,1H3
InChIKeyQCZJVALRQHGEMH-UHFFFAOYSA-N
MW463.34 g/mol
LogP5.21
Rot. Bonds5

About 9-acetyl-2-chloro-6-(4-chloro-1,3-thiazol-5-yl)-3-(cyclopropylmethoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one

9-acetyl-2-chloro-6-(4-chloro-1,3-thiazol-5-yl)-3-(cyclopropylmethoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one (PubChem CID 159734846) has the molecular formula C21H16Cl2N2O4S and a molecular weight of 463.34 g/mol. Its IUPAC name is 9-acetyl-2-chloro-6-(4-chloro-1,3-thiazol-5-yl)-3-(cyclopropylmethoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one.

Molecular Properties

Compound Name9-acetyl-2-chloro-6-(4-chloro-1,3-thiazol-5-yl)-3-(cyclopropylmethoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one
PubChem CID159734846
Molecular FormulaC21H16Cl2N2O4S
Molecular Weight463.34 g/mol
Exact Mass462.02
IUPAC Name9-acetyl-2-chloro-6-(4-chloro-1,3-thiazol-5-yl)-3-(cyclopropylmethoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one
SMILESCC(=O)c1cn2c(cc1=O)-c1cc(Cl)c(OCC3CC3)cc1OC2c1scnc1Cl
InChIInChI=1S/C21H16Cl2N2O4S/c1-10(26)13-7-25-15(5-16(13)27)12-4-14(22)18(28-8-11-2-3-11)6-17(12)29-21(25)19-20(23)24-9-30-19/h4-7,9,11,21H,2-3,8H2,1H3
InChIKeyQCZJVALRQHGEMH-UHFFFAOYSA-N
XLogP5.21
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.34
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-acetyl-2-chloro-6-(4-chloro-1,3-thiazol-5-yl)-3-(cyclopropylmethoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one with MolForge

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Launch Full Analysis

Related Compounds

(6S)-2-chloro-6-(4-chloro-1,3-thiazol-5-yl)-3-(cyclopropylmethoxy)-10-oxo-6H-pyrido[1,2-c][1,3]benzoxazine-9-carboxylic acid
CID 146330379
(6S)-9-acetyl-2-chloro-3-(3-methoxypropoxy)-6-(1,3-thiazol-4-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one
CID 158379953
9-acetyl-2-chloro-3-(3-methoxypropoxy)-6-(1,3-thiazol-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one
CID 160693075
(6R)-9-acetyl-6-(3-chlorothiophen-2-yl)-2-methoxy-3-(3-methoxypropoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one;(6S)-9-acetyl-6-(3-chlorothiophen-2-yl)-2-methoxy-3-(3-methoxypropoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one;(6R)-9-acetyl-2-methoxy-3-(3-methoxypropoxy)-6-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-10-one;(6S)-9-acetyl-2-methoxy-3-(3-methoxypropoxy)-6-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-10-one;(6R)-2-chloro-3-(3-methoxypropoxy)-6-(5-methylthiophen-2-yl)-10-oxo-6H-pyrido[1,2-c][1,3]benzoxazine-9-carboxylic acid;(6S)-2-chloro-3-(3-methoxypropoxy)-6-(5-methylthiophen-2-yl)-10-oxo-6H-pyrido[1,2-c][1,3]benzoxazine-9-carboxylic acid
CID 159051794
(6R)-2-chloro-6-(5-chlorothiophen-2-yl)-3-(3-methoxypropoxy)-10-oxo-6H-pyrido[1,2-c][1,3]benzoxazine-9-carboxylic acid;(6S)-2-chloro-6-(5-chlorothiophen-2-yl)-3-(3-methoxypropoxy)-10-oxo-6H-pyrido[1,2-c][1,3]benzoxazine-9-carboxylic acid
CID 159038444
methyl N-[(10-acetyl-2-chloro-11-oxo-7-propan-2-yl-6,7-dihydropyrido[1,2-d][1,4]benzoxazepin-3-yl)oxymethyl]carbamate
CID 170048043
10-acetyl-2-chloro-3-(2-ethylsulfanylethoxy)-7-propan-2-yl-6,7-dihydropyrido[1,2-d][1,4]benzoxazepin-11-one
CID 159112227
2-chloro-6-(3-fluorophenyl)-3-(3-methoxypropoxy)-10-oxo-6H-pyrido[1,2-c][1,3]benzoxazine-9-carboxylic acid
CID 146330363
9-acetyl-2-methoxy-3-(3-methoxypropoxy)-6-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-10-one
CID 158537283
2-chloro-6-(3-chlorophenyl)-3-(3-methoxypropoxy)-10-oxo-6H-pyrido[1,2-c][1,3]benzoxazine-9-carboxylic acid
CID 146330417
methyl 2-chloro-3-(3-methoxypropoxy)-6-methyl-10-oxo-6H-pyrido[1,2-c][1,3]benzoxazine-9-carboxylate
CID 139466141
(7R)-3-(cyclopropylmethoxy)-2-ethyl-11-oxo-7-propan-2-yl-6,7-dihydropyrido[1,2-d][1,4]benzoxazepine-10-carboxylic acid
CID 139462567

Frequently Asked Questions

What is the IUPAC name of 9-acetyl-2-chloro-6-(4-chloro-1,3-thiazol-5-yl)-3-(cyclopropylmethoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one?
The IUPAC name of 9-acetyl-2-chloro-6-(4-chloro-1,3-thiazol-5-yl)-3-(cyclopropylmethoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one (CID 159734846) is 9-acetyl-2-chloro-6-(4-chloro-1,3-thiazol-5-yl)-3-(cyclopropylmethoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one.
What is the SMILES notation for 9-acetyl-2-chloro-6-(4-chloro-1,3-thiazol-5-yl)-3-(cyclopropylmethoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one?
The canonical SMILES for 9-acetyl-2-chloro-6-(4-chloro-1,3-thiazol-5-yl)-3-(cyclopropylmethoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one is CC(=O)c1cn2c(cc1=O)-c1cc(Cl)c(OCC3CC3)cc1OC2c1scnc1Cl.
What is the InChIKey of 9-acetyl-2-chloro-6-(4-chloro-1,3-thiazol-5-yl)-3-(cyclopropylmethoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one?
The InChIKey is QCZJVALRQHGEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O4S/c1-10(26)13-7-25-15(5-16(13)27)12-4-14(22)18(28-8-11-2-3-11)6-17(12)29-21(25)19-20(23)24-9-30-19/h4-7,9,11,21H,2-3,8H2,1H3.
What are the key properties of 9-acetyl-2-chloro-6-(4-chloro-1,3-thiazol-5-yl)-3-(cyclopropylmethoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one?
9-acetyl-2-chloro-6-(4-chloro-1,3-thiazol-5-yl)-3-(cyclopropylmethoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one has a molecular weight of 463.34 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyl-2-chloro-6-(4-chloro-1,3-thiazol-5-yl)-3-(cyclopropylmethoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one is sourced from PubChem (CID 159734846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).