6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine

C22H16ClN5O — CID 71612449

IUPAC6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine
SMILESCOc1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1Cl
InChIInChI=1S/C22H16ClN5O/c1-29-21-8-6-14(10-17(21)23)13-5-7-18-15(9-13)22(25-12-24-18)27-19-3-2-4-20-16(19)11-26-28-20/h2-12H,1H3,(H,26,28)(H,24,25,27)
InChIKeyFWEFVGNOSVSIJW-UHFFFAOYSA-N
MW401.86 g/mol
LogP5.58
Rot. Bonds4

About 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine

6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine (PubChem CID 71612449) has the molecular formula C22H16ClN5O and a molecular weight of 401.86 g/mol. Its IUPAC name is 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine
PubChem CID71612449
Molecular FormulaC22H16ClN5O
Molecular Weight401.86 g/mol
Exact Mass401.10
IUPAC Name6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine
SMILESCOc1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1Cl
InChIInChI=1S/C22H16ClN5O/c1-29-21-8-6-14(10-17(21)23)13-5-7-18-15(9-13)22(25-12-24-18)27-19-3-2-4-20-16(19)11-26-28-20/h2-12H,1H3,(H,26,28)(H,24,25,27)
InChIKeyFWEFVGNOSVSIJW-UHFFFAOYSA-N
XLogP5.58
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.86
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-3-methoxyphenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57397435
6-(5-Chloro-2-methoxy-phenyl)-N*4*-(1H-indazol-6-yl)-pyrimidine-2,4-diamine
CID 11245550
6-(5-Chloro-2-ethoxy-phenyl)-N*4*-(1H-indazol-6-yl)-pyrimdine-2,4-diamine
CID 11361007
6-(5-Chloro-2-methoxy-phenyl)-N*2*-(1H-indazol-6-yl)-pyrimidine-2,4-diamine
CID 11748922
7-Chloro-4-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 44223300
2-N-(3-methyl-2H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 44532642
2-(5-Chloro-2-methoxy-phenyl)-N-(1H-indazol-6-yl)-pyrimidine-4,6-diamine
CID 11462733
9-(2-chloro-4-methoxyphenyl)-8-methyl-N-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 68059605
2-Methoxy-4-[4-[(1-methylindazol-4-yl)amino]quinazolin-6-yl]phenol
CID 71610725
6-(2,3-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine
CID 71610847
4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]-2-methoxyphenol
CID 71610851
6-(4-ethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine
CID 71612080

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
The IUPAC name of 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine (CID 71612449) is 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
The canonical SMILES for 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine is COc1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
The InChIKey is FWEFVGNOSVSIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O/c1-29-21-8-6-14(10-17(21)23)13-5-7-18-15(9-13)22(25-12-24-18)27-19-3-2-4-20-16(19)11-26-28-20/h2-12H,1H3,(H,26,28)(H,24,25,27).
What are the key properties of 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine has a molecular weight of 401.86 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 71612449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).