2-chloro-N-(1,1-dioxothiolan-3-yl)-6,7-dimethoxy-N-methylquinazolin-4-amine

C15H18ClN3O4S — CID 22692654

IUPAC2-chloro-N-(1,1-dioxothiolan-3-yl)-6,7-dimethoxy-N-methylquinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(N(C)C3CCS(=O)(=O)C3)c2cc1OC
InChIInChI=1S/C15H18ClN3O4S/c1-19(9-4-5-24(20,21)8-9)14-10-6-12(22-2)13(23-3)7-11(10)17-15(16)18-14/h6-7,9H,4-5,8H2,1-3H3
InChIKeyOSUYVWQDLDLFIG-UHFFFAOYSA-N
MW371.85 g/mol
LogP1.92
Rot. Bonds4

About 2-chloro-N-(1,1-dioxothiolan-3-yl)-6,7-dimethoxy-N-methylquinazolin-4-amine

2-chloro-N-(1,1-dioxothiolan-3-yl)-6,7-dimethoxy-N-methylquinazolin-4-amine (PubChem CID 22692654) has the molecular formula C15H18ClN3O4S and a molecular weight of 371.85 g/mol. Its IUPAC name is 2-chloro-N-(1,1-dioxothiolan-3-yl)-6,7-dimethoxy-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1,1-dioxothiolan-3-yl)-6,7-dimethoxy-N-methylquinazolin-4-amine
PubChem CID22692654
Molecular FormulaC15H18ClN3O4S
Molecular Weight371.85 g/mol
Exact Mass371.07
IUPAC Name2-chloro-N-(1,1-dioxothiolan-3-yl)-6,7-dimethoxy-N-methylquinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(N(C)C3CCS(=O)(=O)C3)c2cc1OC
InChIInChI=1S/C15H18ClN3O4S/c1-19(9-4-5-24(20,21)8-9)14-10-6-12(22-2)13(23-3)7-11(10)17-15(16)18-14/h6-7,9H,4-5,8H2,1-3H3
InChIKeyOSUYVWQDLDLFIG-UHFFFAOYSA-N
XLogP1.92
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-(1,1-dioxothiolan-3-yl)-6,7-dimethoxy-N-methylquinazolin-4-amine with MolForge

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-7-methoxy-N-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 7749314
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidin-4-amine
CID 62341880
6-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(1,1-dioxothiolan-3-yl)-4-N-methylpyrimidine-4,6-diamine
CID 112862154
2-N-(1,1-dioxothiolan-3-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine
CID 115320464
CID 90466532
CID 90466532
3-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)-N-methylquinolin-2-amine
CID 43648934
4-N-(3-chloro-4-methoxyphenyl)-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 112896210
1-N-(1,1-dioxothiolan-3-yl)-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine
CID 63599419
5-N-(3,4-dimethoxyphenyl)-3-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112955270
2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine
CID 91756722
2-N,4-N-bis(1,1-dioxothiolan-3-yl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 112921910
2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
CID 22692592

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,1-dioxothiolan-3-yl)-6,7-dimethoxy-N-methylquinazolin-4-amine?
The IUPAC name of 2-chloro-N-(1,1-dioxothiolan-3-yl)-6,7-dimethoxy-N-methylquinazolin-4-amine (CID 22692654) is 2-chloro-N-(1,1-dioxothiolan-3-yl)-6,7-dimethoxy-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(1,1-dioxothiolan-3-yl)-6,7-dimethoxy-N-methylquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(1,1-dioxothiolan-3-yl)-6,7-dimethoxy-N-methylquinazolin-4-amine is COc1cc2nc(Cl)nc(N(C)C3CCS(=O)(=O)C3)c2cc1OC.
What is the InChIKey of 2-chloro-N-(1,1-dioxothiolan-3-yl)-6,7-dimethoxy-N-methylquinazolin-4-amine?
The InChIKey is OSUYVWQDLDLFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O4S/c1-19(9-4-5-24(20,21)8-9)14-10-6-12(22-2)13(23-3)7-11(10)17-15(16)18-14/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 2-chloro-N-(1,1-dioxothiolan-3-yl)-6,7-dimethoxy-N-methylquinazolin-4-amine?
2-chloro-N-(1,1-dioxothiolan-3-yl)-6,7-dimethoxy-N-methylquinazolin-4-amine has a molecular weight of 371.85 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,1-dioxothiolan-3-yl)-6,7-dimethoxy-N-methylquinazolin-4-amine is sourced from PubChem (CID 22692654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).