4-amino-N-[2,6-dichloro-3-(dimethylcarbamoyl)-5-methoxyphenyl]quinazoline-8-carboxamide

C19H17Cl2N5O3 — CID 25182203

IUPAC4-amino-N-[2,6-dichloro-3-(dimethylcarbamoyl)-5-methoxyphenyl]quinazoline-8-carboxamide
SMILESCOc1cc(C(=O)N(C)C)c(Cl)c(NC(=O)c2cccc3c(N)ncnc23)c1Cl
InChIInChI=1S/C19H17Cl2N5O3/c1-26(2)19(28)11-7-12(29-3)14(21)16(13(11)20)25-18(27)10-6-4-5-9-15(10)23-8-24-17(9)22/h4-8H,1-3H3,(H,25,27)(H2,22,23,24)
InChIKeyJDAPUBNMZXUCDJ-UHFFFAOYSA-N
MW434.28 g/mol
LogP3.48
Rot. Bonds4

About 4-amino-N-[2,6-dichloro-3-(dimethylcarbamoyl)-5-methoxyphenyl]quinazoline-8-carboxamide

4-amino-N-[2,6-dichloro-3-(dimethylcarbamoyl)-5-methoxyphenyl]quinazoline-8-carboxamide (PubChem CID 25182203) has the molecular formula C19H17Cl2N5O3 and a molecular weight of 434.28 g/mol. Its IUPAC name is 4-amino-N-[2,6-dichloro-3-(dimethylcarbamoyl)-5-methoxyphenyl]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2,6-dichloro-3-(dimethylcarbamoyl)-5-methoxyphenyl]quinazoline-8-carboxamide
PubChem CID25182203
Molecular FormulaC19H17Cl2N5O3
Molecular Weight434.28 g/mol
Exact Mass433.07
IUPAC Name4-amino-N-[2,6-dichloro-3-(dimethylcarbamoyl)-5-methoxyphenyl]quinazoline-8-carboxamide
SMILESCOc1cc(C(=O)N(C)C)c(Cl)c(NC(=O)c2cccc3c(N)ncnc23)c1Cl
InChIInChI=1S/C19H17Cl2N5O3/c1-26(2)19(28)11-7-12(29-3)14(21)16(13(11)20)25-18(27)10-6-4-5-9-15(10)23-8-24-17(9)22/h4-8H,1-3H3,(H,25,27)(H2,22,23,24)
InChIKeyJDAPUBNMZXUCDJ-UHFFFAOYSA-N
XLogP3.48
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.28
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-[2,6-dichloro-3-(dimethylcarbamoyl)-5-methoxyphenyl]quinazoline-8-carboxamide with MolForge

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Related Compounds

2,4-dichloro-3-[(4-chloroquinazoline-8-carbonyl)amino]-5-methoxybenzoic acid
CID 88970027
4-amino-N-[2-chloro-3-[ethyl(methylsulfamoyl)amino]-6-fluorophenyl]quinazoline-8-carboxamide
CID 71207964
2-acetamido-3-methoxy-N,N-dimethylbenzamide
CID 140972358
4-amino-N-[6-methyl-1-(2,3,4,5-tetrafluoroanilino)isoquinolin-5-yl]quinazoline-8-carboxamide
CID 163272135
N-(1-chloro-6-methylisoquinolin-5-yl)-4-[(2,4-dimethoxyphenyl)methylamino]quinazoline-8-carboxamide
CID 163272171
N-(2,6-dichloro-3-methoxy-5-methylphenyl)-4-[4-(dimethylamino)anilino]thieno[3,2-d]pyrimidine-7-carboxamide
CID 89252842
4-amino-N-[1-(3-chloro-2-fluoroanilino)-6-methylisoquinolin-5-yl]-6-methoxyquinazoline-8-carboxamide
CID 167052634
4-amino-N-[6-chloro-3-(propylsulfonylamino)-2-[2-tri(propan-2-yl)silylethynyl]phenyl]quinazoline-8-carboxamide
CID 71208000
N-(2-amino-6-chlorophenyl)-4-chloro-2-methoxybenzamide
CID 62085162
methyl 2-chloro-3-methoxybenzoate
CID 10262208
2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide
CID 159426451
4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 67617550

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2,6-dichloro-3-(dimethylcarbamoyl)-5-methoxyphenyl]quinazoline-8-carboxamide?
The IUPAC name of 4-amino-N-[2,6-dichloro-3-(dimethylcarbamoyl)-5-methoxyphenyl]quinazoline-8-carboxamide (CID 25182203) is 4-amino-N-[2,6-dichloro-3-(dimethylcarbamoyl)-5-methoxyphenyl]quinazoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-[2,6-dichloro-3-(dimethylcarbamoyl)-5-methoxyphenyl]quinazoline-8-carboxamide?
The canonical SMILES for 4-amino-N-[2,6-dichloro-3-(dimethylcarbamoyl)-5-methoxyphenyl]quinazoline-8-carboxamide is COc1cc(C(=O)N(C)C)c(Cl)c(NC(=O)c2cccc3c(N)ncnc23)c1Cl.
What is the InChIKey of 4-amino-N-[2,6-dichloro-3-(dimethylcarbamoyl)-5-methoxyphenyl]quinazoline-8-carboxamide?
The InChIKey is JDAPUBNMZXUCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O3/c1-26(2)19(28)11-7-12(29-3)14(21)16(13(11)20)25-18(27)10-6-4-5-9-15(10)23-8-24-17(9)22/h4-8H,1-3H3,(H,25,27)(H2,22,23,24).
What are the key properties of 4-amino-N-[2,6-dichloro-3-(dimethylcarbamoyl)-5-methoxyphenyl]quinazoline-8-carboxamide?
4-amino-N-[2,6-dichloro-3-(dimethylcarbamoyl)-5-methoxyphenyl]quinazoline-8-carboxamide has a molecular weight of 434.28 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2,6-dichloro-3-(dimethylcarbamoyl)-5-methoxyphenyl]quinazoline-8-carboxamide is sourced from PubChem (CID 25182203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).