6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride

C24H25ClN4O2 — CID 44532601

IUPAC6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCOc1cc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)c2cc1OC.Cl
InChIInChI=1S/C24H24N4O2.ClH/c1-15-5-9-17(10-6-15)25-23-19-13-21(29-3)22(30-4)14-20(19)27-24(28-23)26-18-11-7-16(2)8-12-18;/h5-14H,1-4H3,(H2,25,26,27,28);1H
InChIKeyMMYWCOYIFMCIMW-UHFFFAOYSA-N
MW436.94 g/mol
LogP6.17
Rot. Bonds6

About 6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride

6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride (PubChem CID 44532601) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride
PubChem CID44532601
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCOc1cc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)c2cc1OC.Cl
InChIInChI=1S/C24H24N4O2.ClH/c1-15-5-9-17(10-6-15)25-23-19-13-21(29-3)22(30-4)14-20(19)27-24(28-23)26-18-11-7-16(2)8-12-18;/h5-14H,1-4H3,(H2,25,26,27,28);1H
InChIKeyMMYWCOYIFMCIMW-UHFFFAOYSA-N
XLogP6.17
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 59066353
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-phenylquinazoline-2,4-diamine
CID 117091404
2-chloro-N-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22692700
6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine
CID 117085172
4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012
N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693257
4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzonitrile
CID 169095838
6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 117088726
2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 117079834
2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 45262047
6,7-dimethoxy-2-N-(4-nitrophenyl)quinazoline-2,4-diamine
CID 57328727

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride (CID 44532601) is 6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride is COc1cc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)c2cc1OC.Cl.
What is the InChIKey of 6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride?
The InChIKey is MMYWCOYIFMCIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2.ClH/c1-15-5-9-17(10-6-15)25-23-19-13-21(29-3)22(30-4)14-20(19)27-24(28-23)26-18-11-7-16(2)8-12-18;/h5-14H,1-4H3,(H2,25,26,27,28);1H.
What are the key properties of 6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride?
6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride has a molecular weight of 436.94 g/mol, XLogP of 6.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 44532601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).