4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxylic acid

C19H16Cl2N4O2 — CID 123476126

IUPAC4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CCN1
InChIInChI=1S/C19H16Cl2N4O2/c20-12-3-1-11(2-4-12)13-7-14-16(8-15(13)21)23-10-24-18(14)25-6-5-22-17(9-25)19(26)27/h1-4,7-8,10,17,22H,5-6,9H2,(H,26,27)
InChIKeySSJCTHHGDMXWEE-UHFFFAOYSA-N
MW403.27 g/mol
LogP3.47
Rot. Bonds3

About 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxylic acid

4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxylic acid (PubChem CID 123476126) has the molecular formula C19H16Cl2N4O2 and a molecular weight of 403.27 g/mol. Its IUPAC name is 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxylic acid
PubChem CID123476126
Molecular FormulaC19H16Cl2N4O2
Molecular Weight403.27 g/mol
Exact Mass402.07
IUPAC Name4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CCN1
InChIInChI=1S/C19H16Cl2N4O2/c20-12-3-1-11(2-4-12)13-7-14-16(8-15(13)21)23-10-24-18(14)25-6-5-22-17(9-25)19(26)27/h1-4,7-8,10,17,22H,5-6,9H2,(H,26,27)
InChIKeySSJCTHHGDMXWEE-UHFFFAOYSA-N
XLogP3.47
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile
CID 118019018
(3S)-1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 157377652
2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol
CID 157402306
7-chloro-6-phenyl-4-piperazin-1-ylquinazoline
CID 118018983
2-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetamide
CID 118010641
tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate
CID 118010462
(E)-4-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-N,N-dimethylbut-2-en-1-amine
CID 151167222
4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide;ethane
CID 144829202
7-chloro-6-(4-chlorophenyl)-4-(4-ethenylsulfonylpiperazin-1-yl)quinazoline
CID 118010329
4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 146471910
(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid
CID 97169297
(2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid
CID 97176850

Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxylic acid?
The IUPAC name of 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxylic acid (CID 123476126) is 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxylic acid.
What is the SMILES notation for 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxylic acid?
The canonical SMILES for 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxylic acid is O=C(O)C1CN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CCN1.
What is the InChIKey of 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxylic acid?
The InChIKey is SSJCTHHGDMXWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O2/c20-12-3-1-11(2-4-12)13-7-14-16(8-15(13)21)23-10-24-18(14)25-6-5-22-17(9-25)19(26)27/h1-4,7-8,10,17,22H,5-6,9H2,(H,26,27).
What are the key properties of 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxylic acid?
4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxylic acid has a molecular weight of 403.27 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxylic acid is sourced from PubChem (CID 123476126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).