4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylic acid

C19H19ClN6O4S — CID 155267470

IUPAC4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylic acid
SMILESCS(=O)(=O)c1ccc(N)nc1-c1cc2ncnc(N3CCN(C(=O)O)CC3)c2cc1Cl
InChIInChI=1S/C19H19ClN6O4S/c1-31(29,30)15-2-3-16(21)24-17(15)11-9-14-12(8-13(11)20)18(23-10-22-14)25-4-6-26(7-5-25)19(27)28/h2-3,8-10H,4-7H2,1H3,(H2,21,24)(H,27,28)
InChIKeyKQMUIZOUHJXIIB-UHFFFAOYSA-N
MW462.92 g/mol
LogP2.13
Rot. Bonds3

About 4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylic acid

4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylic acid (PubChem CID 155267470) has the molecular formula C19H19ClN6O4S and a molecular weight of 462.92 g/mol. Its IUPAC name is 4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylic acid
PubChem CID155267470
Molecular FormulaC19H19ClN6O4S
Molecular Weight462.92 g/mol
Exact Mass462.09
IUPAC Name4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylic acid
SMILESCS(=O)(=O)c1ccc(N)nc1-c1cc2ncnc(N3CCN(C(=O)O)CC3)c2cc1Cl
InChIInChI=1S/C19H19ClN6O4S/c1-31(29,30)15-2-3-16(21)24-17(15)11-9-14-12(8-13(11)20)18(23-10-22-14)25-4-6-26(7-5-25)19(27)28/h2-3,8-10H,4-7H2,1H3,(H2,21,24)(H,27,28)
InChIKeyKQMUIZOUHJXIIB-UHFFFAOYSA-N
XLogP2.13
TPSA142.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.92
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylate
CID 146625086
6-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-5-(difluoromethyl)pyridin-2-amine
CID 158458481
4-(6,7-difluoroquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707660
tert-butyl 4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-(azetidin-1-yl)quinazolin-4-yl]piperazine-1-carboxylate
CID 146624950
4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 155267479
N-[1-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]isoquinolin-3-yl]-2-hydroxyacetamide
CID 146625084
1-[(2S)-4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-2-isocyanopiperazin-1-yl]-2-fluoroprop-2-en-1-one;1-[(2R)-4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-2-isocyanopiperazin-1-yl]-2-fluoroprop-2-en-1-one
CID 159426323
1-(6-chloro-4-piperidin-1-ylquinazolin-7-yl)-8-fluoroisoquinolin-3-amine
CID 158860748
4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid
CID 155267423
1-[4-[6-chloro-7-(2-fluoro-5-methylphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 118328447
1-[4-[7-(1H-benzimidazol-4-yl)-6-chloroquinazolin-4-yl]piperazin-1-yl]ethanone
CID 163690715
1-[4-[6-chloro-7-(3-methoxynaphthalen-1-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 118019100

Frequently Asked Questions

What is the IUPAC name of 4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylic acid (CID 155267470) is 4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylic acid is CS(=O)(=O)c1ccc(N)nc1-c1cc2ncnc(N3CCN(C(=O)O)CC3)c2cc1Cl.
What is the InChIKey of 4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylic acid?
The InChIKey is KQMUIZOUHJXIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O4S/c1-31(29,30)15-2-3-16(21)24-17(15)11-9-14-12(8-13(11)20)18(23-10-22-14)25-4-6-26(7-5-25)19(27)28/h2-3,8-10H,4-7H2,1H3,(H2,21,24)(H,27,28).
What are the key properties of 4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylic acid?
4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylic acid has a molecular weight of 462.92 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(6-amino-3-methylsulfonyl-2-pyridinyl)-6-chloroquinazolin-4-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 155267470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).