6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine

C22H25N3O3 — CID 117090820

IUPAC6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
SMILESCOc1cc2nc(-c3cccc(C)c3)nc(NCC3CCCO3)c2cc1OC
InChIInChI=1S/C22H25N3O3/c1-14-6-4-7-15(10-14)21-24-18-12-20(27-3)19(26-2)11-17(18)22(25-21)23-13-16-8-5-9-28-16/h4,6-7,10-12,16H,5,8-9,13H2,1-3H3,(H,23,24,25)
InChIKeyWTNOYKAODMCXCL-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.21
Rot. Bonds6

About 6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine

6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine (PubChem CID 117090820) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
PubChem CID117090820
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
SMILESCOc1cc2nc(-c3cccc(C)c3)nc(NCC3CCCO3)c2cc1OC
InChIInChI=1S/C22H25N3O3/c1-14-6-4-7-15(10-14)21-24-18-12-20(27-3)19(26-2)11-17(18)22(25-21)23-13-16-8-5-9-28-16/h4,6-7,10-12,16H,5,8-9,13H2,1-3H3,(H,23,24,25)
InChIKeyWTNOYKAODMCXCL-UHFFFAOYSA-N
XLogP4.21
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 731357
6,7-dimethoxy-4-(oxolan-2-ylmethylamino)-1H-quinazoline-2-thione
CID 3243470
5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 169416582
2-(3-chlorophenyl)-6-methyl-N-(oxolan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431147
2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 1318726
3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864468
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 715619
N-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 44968192
8-chloro-3-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864408
2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine
CID 91756722
2-N-(3-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride
CID 2951909

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine (CID 117090820) is 6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine is COc1cc2nc(-c3cccc(C)c3)nc(NCC3CCCO3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
The InChIKey is WTNOYKAODMCXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14-6-4-7-15(10-14)21-24-18-12-20(27-3)19(26-2)11-17(18)22(25-21)23-13-16-8-5-9-28-16/h4,6-7,10-12,16H,5,8-9,13H2,1-3H3,(H,23,24,25).
What are the key properties of 6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine has a molecular weight of 379.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 117090820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).