1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)oxy-2-methylpropan-2-amine

C14H18ClN3O3 — CID 154538664

IUPAC1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)oxy-2-methylpropan-2-amine
SMILESCOc1cc2nc(Cl)nc(OCC(C)(C)N)c2cc1OC
InChIInChI=1S/C14H18ClN3O3/c1-14(2,16)7-21-12-8-5-10(19-3)11(20-4)6-9(8)17-13(15)18-12/h5-6H,7,16H2,1-4H3
InChIKeyVIBLZXBYUAWZNV-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.42
Rot. Bonds5

About 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)oxy-2-methylpropan-2-amine

1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)oxy-2-methylpropan-2-amine (PubChem CID 154538664) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)oxy-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)oxy-2-methylpropan-2-amine
PubChem CID154538664
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)oxy-2-methylpropan-2-amine
SMILESCOc1cc2nc(Cl)nc(OCC(C)(C)N)c2cc1OC
InChIInChI=1S/C14H18ClN3O3/c1-14(2,16)7-21-12-8-5-10(19-3)11(20-4)6-9(8)17-13(15)18-12/h5-6H,7,16H2,1-4H3
InChIKeyVIBLZXBYUAWZNV-UHFFFAOYSA-N
XLogP2.42
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 90466532
CID 90466532
2,4-dichloro-6-methoxy-7-propoxyquinazoline
CID 21330888
2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine
CID 91756722
N-butyl-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22692586
2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine
CID 114693438
N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693257
1-(5-chloro-2-methoxypyrimidin-4-yl)oxy-2-methylpropan-2-amine
CID 80752764
2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine
CID 158035672
N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 22692934
2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
CID 22692592
4-chloro-6,7-dimethoxyquinolin-2-amine
CID 141028770
2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 45262047

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)oxy-2-methylpropan-2-amine?
The IUPAC name of 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)oxy-2-methylpropan-2-amine (CID 154538664) is 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)oxy-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)oxy-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)oxy-2-methylpropan-2-amine is COc1cc2nc(Cl)nc(OCC(C)(C)N)c2cc1OC.
What is the InChIKey of 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)oxy-2-methylpropan-2-amine?
The InChIKey is VIBLZXBYUAWZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-14(2,16)7-21-12-8-5-10(19-3)11(20-4)6-9(8)17-13(15)18-12/h5-6H,7,16H2,1-4H3.
What are the key properties of 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)oxy-2-methylpropan-2-amine?
1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)oxy-2-methylpropan-2-amine has a molecular weight of 311.77 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)oxy-2-methylpropan-2-amine is sourced from PubChem (CID 154538664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).