4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine

C23H21ClN4O2 — CID 71690729

IUPAC4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1cc(Nc2nc(NCc3ccccc3Cl)c3ccccc3n2)cc(OC)c1
InChIInChI=1S/C23H21ClN4O2/c1-29-17-11-16(12-18(13-17)30-2)26-23-27-21-10-6-4-8-19(21)22(28-23)25-14-15-7-3-5-9-20(15)24/h3-13H,14H2,1-2H3,(H2,25,26,27,28)
InChIKeyBPPHMZJYZRTIJH-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.66
Rot. Bonds7

About 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine

4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine (PubChem CID 71690729) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine
PubChem CID71690729
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1cc(Nc2nc(NCc3ccccc3Cl)c3ccccc3n2)cc(OC)c1
InChIInChI=1S/C23H21ClN4O2/c1-29-17-11-16(12-18(13-17)30-2)26-23-27-21-10-6-4-8-19(21)22(28-23)25-14-15-7-3-5-9-20(15)24/h3-13H,14H2,1-2H3,(H2,25,26,27,28)
InChIKeyBPPHMZJYZRTIJH-UHFFFAOYSA-N
XLogP5.66
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine with MolForge

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Related Compounds

4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine
CID 71690720
4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-dimethylphenyl)quinazoline-2,4-diamine
CID 71690707
4-N-[(2-chlorophenyl)methyl]-2-N-(2,5-dimethylphenyl)quinazoline-2,4-diamine
CID 71690708
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol
CID 91963240
3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]benzoic acid
CID 91963258
4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine
CID 71690909
1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol
CID 91963252
2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963270
N-[(2-chlorophenyl)methyl]-3-methoxyaniline
CID 23795463
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91964049
2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 50947631

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine (CID 71690729) is 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine is COc1cc(Nc2nc(NCc3ccccc3Cl)c3ccccc3n2)cc(OC)c1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine?
The InChIKey is BPPHMZJYZRTIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-29-17-11-16(12-18(13-17)30-2)26-23-27-21-10-6-4-8-19(21)22(28-23)25-14-15-7-3-5-9-20(15)24/h3-13H,14H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine?
4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine has a molecular weight of 420.90 g/mol, XLogP of 5.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 71690729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).