4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine

C22H19ClN4O2 — CID 22693012

IUPAC4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
SMILESCOc1cc2nc(Cl)nc(Nc3ccc(Nc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C22H19ClN4O2/c1-28-19-12-17-18(13-20(19)29-2)26-22(23)27-21(17)25-16-10-8-15(9-11-16)24-14-6-4-3-5-7-14/h3-13,24H,1-2H3,(H,25,26,27)
InChIKeyMYQNXVPTTZDDCM-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.79
Rot. Bonds6

About 4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine

4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine (PubChem CID 22693012) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
PubChem CID22693012
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
SMILESCOc1cc2nc(Cl)nc(Nc3ccc(Nc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C22H19ClN4O2/c1-28-19-12-17-18(13-20(19)29-2)26-22(23)27-21(17)25-16-10-8-15(9-11-16)24-14-6-4-3-5-7-14/h3-13,24H,1-2H3,(H,25,26,27)
InChIKeyMYQNXVPTTZDDCM-UHFFFAOYSA-N
XLogP5.79
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22692700
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
2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 45262047
3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzonitrile
CID 22693255
N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693150
2-chloro-6,7-dimethoxy-N-pyridin-2-ylquinazolin-4-amine
CID 22692875
2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 22693013
6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 117088726
6,7-dimethoxy-4-N-phenyl-2-N-pyrimidin-2-ylquinazoline-2,4-diamine
CID 117087219
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine
CID 22692861
2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine
CID 85473009

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine (CID 22693012) is 4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine is COc1cc2nc(Cl)nc(Nc3ccc(Nc4ccccc4)cc3)c2cc1OC.
What is the InChIKey of 4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine?
The InChIKey is MYQNXVPTTZDDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-28-19-12-17-18(13-20(19)29-2)26-22(23)27-21(17)25-16-10-8-15(9-11-16)24-14-6-4-3-5-7-14/h3-13,24H,1-2H3,(H,25,26,27).
What are the key properties of 4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine?
4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine has a molecular weight of 406.87 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 22693012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).