2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine

C15H18ClN3O3 — CID 46901939

IUPAC2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(NC3CCOCC3)c2cc1OC
InChIInChI=1S/C15H18ClN3O3/c1-20-12-7-10-11(8-13(12)21-2)18-15(16)19-14(10)17-9-3-5-22-6-4-9/h7-9H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyZBFIHDTUCATFBO-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.89
Rot. Bonds4

About 2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine

2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine (PubChem CID 46901939) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine
PubChem CID46901939
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(NC3CCOCC3)c2cc1OC
InChIInChI=1S/C15H18ClN3O3/c1-20-12-7-10-11(8-13(12)21-2)18-15(16)19-14(10)17-9-3-5-22-6-4-9/h7-9H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyZBFIHDTUCATFBO-UHFFFAOYSA-N
XLogP2.89
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
CID 22692592
6,7-dimethoxy-4-(oxan-4-ylamino)quinazoline-2-carbonitrile
CID 177380055
6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)quinazolin-4-amine
CID 44604814
2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine
CID 91756722
2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 22693013
4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine
CID 57342963
2-chloro-N-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-6,7-dimethoxyquinazolin-4-amine
CID 87286640
2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine;2,2,2-trifluoroacetic acid
CID 164616588
(4R,6R)-3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-6-(hydroxymethyl)oxane-2,4,5-triol
CID 22693171
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine
CID 22692861
2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 45262047
N-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003381

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine?
The IUPAC name of 2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine (CID 46901939) is 2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine is COc1cc2nc(Cl)nc(NC3CCOCC3)c2cc1OC.
What is the InChIKey of 2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine?
The InChIKey is ZBFIHDTUCATFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-20-12-7-10-11(8-13(12)21-2)18-15(16)19-14(10)17-9-3-5-22-6-4-9/h7-9H,3-6H2,1-2H3,(H,17,18,19).
What are the key properties of 2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine?
2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine has a molecular weight of 323.78 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine is sourced from PubChem (CID 46901939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).