[2-chloro-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenyl]-(1,3-thiazol-5-yl)methanone;hydrochloride

C20H16Cl2N4O3S — CID 23211979

IUPAC[2-chloro-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenyl]-(1,3-thiazol-5-yl)methanone;hydrochloride
SMILESCOc1cc2cnc(Nc3ccc(C(=O)c4cncs4)c(Cl)c3)nc2cc1OC.Cl
InChIInChI=1S/C20H15ClN4O3S.ClH/c1-27-16-5-11-8-23-20(25-15(11)7-17(16)28-2)24-12-3-4-13(14(21)6-12)19(26)18-9-22-10-29-18;/h3-10H,1-2H3,(H,23,24,25);1H
InChIKeyCTEPQVRPGZBJET-UHFFFAOYSA-N
MW463.35 g/mol
LogP5.15
Rot. Bonds6

About [2-chloro-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenyl]-(1,3-thiazol-5-yl)methanone;hydrochloride

[2-chloro-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenyl]-(1,3-thiazol-5-yl)methanone;hydrochloride (PubChem CID 23211979) has the molecular formula C20H16Cl2N4O3S and a molecular weight of 463.35 g/mol. Its IUPAC name is [2-chloro-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenyl]-(1,3-thiazol-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-chloro-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenyl]-(1,3-thiazol-5-yl)methanone;hydrochloride
PubChem CID23211979
Molecular FormulaC20H16Cl2N4O3S
Molecular Weight463.35 g/mol
Exact Mass462.03
IUPAC Name[2-chloro-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenyl]-(1,3-thiazol-5-yl)methanone;hydrochloride
SMILESCOc1cc2cnc(Nc3ccc(C(=O)c4cncs4)c(Cl)c3)nc2cc1OC.Cl
InChIInChI=1S/C20H15ClN4O3S.ClH/c1-27-16-5-11-8-23-20(25-15(11)7-17(16)28-2)24-12-3-4-13(14(21)6-12)19(26)18-9-22-10-29-18;/h3-10H,1-2H3,(H,23,24,25);1H
InChIKeyCTEPQVRPGZBJET-UHFFFAOYSA-N
XLogP5.15
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.35
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-chloro-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenyl]-(1,3-thiazol-5-yl)methanone;hydrochloride with MolForge

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Related Compounds

2-bromo-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenol
CID 54042004
2-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetamide
CID 90941517
N-(3-ethynylphenyl)-6,7-dimethoxyquinazolin-2-amine
CID 150674424
N-[4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]-N-methylmethanesulfonamide
CID 91102916
[2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone
CID 18967638
4-[2-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-methoxyethyl)-N-methylpiperidine-1-carboxamide
CID 90822472
N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine
CID 70190585
2-(3-chloro-4-methoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267919
2-methoxy-4-[(5-methylpyrimidin-2-yl)amino]benzoic acid
CID 107208994
2-(3,4-dichloroanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83182017
methyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 107623558
N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109269304

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenyl]-(1,3-thiazol-5-yl)methanone;hydrochloride?
The IUPAC name of [2-chloro-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenyl]-(1,3-thiazol-5-yl)methanone;hydrochloride (CID 23211979) is [2-chloro-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenyl]-(1,3-thiazol-5-yl)methanone;hydrochloride.
What is the SMILES notation for [2-chloro-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenyl]-(1,3-thiazol-5-yl)methanone;hydrochloride?
The canonical SMILES for [2-chloro-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenyl]-(1,3-thiazol-5-yl)methanone;hydrochloride is COc1cc2cnc(Nc3ccc(C(=O)c4cncs4)c(Cl)c3)nc2cc1OC.Cl.
What is the InChIKey of [2-chloro-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenyl]-(1,3-thiazol-5-yl)methanone;hydrochloride?
The InChIKey is CTEPQVRPGZBJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3S.ClH/c1-27-16-5-11-8-23-20(25-15(11)7-17(16)28-2)24-12-3-4-13(14(21)6-12)19(26)18-9-22-10-29-18;/h3-10H,1-2H3,(H,23,24,25);1H.
What are the key properties of [2-chloro-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenyl]-(1,3-thiazol-5-yl)methanone;hydrochloride?
[2-chloro-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenyl]-(1,3-thiazol-5-yl)methanone;hydrochloride has a molecular weight of 463.35 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenyl]-(1,3-thiazol-5-yl)methanone;hydrochloride is sourced from PubChem (CID 23211979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).