2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine

C24H25N5O2 — CID 117091404

IUPAC2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine
SMILESCOc1cc2nc(Nc3cccc(N(C)C)c3)nc(Nc3ccccc3)c2cc1OC
InChIInChI=1S/C24H25N5O2/c1-29(2)18-12-8-11-17(13-18)26-24-27-20-15-22(31-4)21(30-3)14-19(20)23(28-24)25-16-9-6-5-7-10-16/h5-15H,1-4H3,(H2,25,26,27,28)
InChIKeyAMLWFBVHFWZQMQ-UHFFFAOYSA-N
MW415.50 g/mol
LogP5.20
Rot. Bonds7

About 2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine

2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine (PubChem CID 117091404) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine
PubChem CID117091404
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine
SMILESCOc1cc2nc(Nc3cccc(N(C)C)c3)nc(Nc3ccccc3)c2cc1OC
InChIInChI=1S/C24H25N5O2/c1-29(2)18-12-8-11-17(13-18)26-24-27-20-15-22(31-4)21(30-3)14-19(20)23(28-24)25-16-9-6-5-7-10-16/h5-15H,1-4H3,(H2,25,26,27,28)
InChIKeyAMLWFBVHFWZQMQ-UHFFFAOYSA-N
XLogP5.20
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 117079834
6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine
CID 117087219
2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-[[3-(trifluoromethyl)phenyl]methyl]quinazoline-2,4-diamine
CID 117089958
6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride
CID 44532601
4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012
6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine
CID 117085172
6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 117088726
4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 59066353
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
4-[3-[[4-(3-ethynylanilino)-6,7-dimethoxyquinazolin-2-yl]amino]phenoxy]benzonitrile
CID 71449339
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
3-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]benzoic acid
CID 71691164

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine (CID 117091404) is 2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine is COc1cc2nc(Nc3cccc(N(C)C)c3)nc(Nc3ccccc3)c2cc1OC.
What is the InChIKey of 2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine?
The InChIKey is AMLWFBVHFWZQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-29(2)18-12-8-11-17(13-18)26-24-27-20-15-22(31-4)21(30-3)14-19(20)23(28-24)25-16-9-6-5-7-10-16/h5-15H,1-4H3,(H2,25,26,27,28).
What are the key properties of 2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine?
2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine has a molecular weight of 415.50 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 117091404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).