N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine

C23H21N3O3 — CID 20963109

IUPACN-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(Nc3ccc(OC)c(OC)c3)c3ccccc3n2)cc1
InChIInChI=1S/C23H21N3O3/c1-27-17-11-8-15(9-12-17)22-25-19-7-5-4-6-18(19)23(26-22)24-16-10-13-20(28-2)21(14-16)29-3/h4-14H,1-3H3,(H,24,25,26)
InChIKeyQMFOOTIKJFKPLV-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.07
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine

N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine (PubChem CID 20963109) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
PubChem CID20963109
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(Nc3ccc(OC)c(OC)c3)c3ccccc3n2)cc1
InChIInChI=1S/C23H21N3O3/c1-27-17-11-8-15(9-12-17)22-25-19-7-5-4-6-18(19)23(26-22)24-16-10-13-20(28-2)21(14-16)29-3/h4-14H,1-3H3,(H,24,25,26)
InChIKeyQMFOOTIKJFKPLV-UHFFFAOYSA-N
XLogP5.07
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 176870
Trimetrexate
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Erlotinib Hydrochloride
CID 176871
N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
CID 2051
Tandutinib
CID 3038522
PD-153035
CID 4705
Icotinib
CID 22024915
Verubulin
CID 11414799
2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline
CID 616267
2-Chloro-6,7-dimethoxy-4-quinazolinamine
CID 90235
Abanoquil
CID 164089
4-(3-Bromoanilino)-6,7-diethoxyquinazoline
CID 2857

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine (CID 20963109) is N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine is COc1ccc(-c2nc(Nc3ccc(OC)c(OC)c3)c3ccccc3n2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine?
The InChIKey is QMFOOTIKJFKPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-27-17-11-8-15(9-12-17)22-25-19-7-5-4-6-18(19)23(26-22)24-16-10-13-20(28-2)21(14-16)29-3/h4-14H,1-3H3,(H,24,25,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine?
N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine has a molecular weight of 387.44 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 20963109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).