(3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid

C20H18ClN3O2 — CID 134220216

IUPAC(3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(c2ncnc3cccc(-c4ccc(Cl)cc4)c23)C1
InChIInChI=1S/C20H18ClN3O2/c21-15-8-6-13(7-9-15)16-4-1-5-17-18(16)19(23-12-22-17)24-10-2-3-14(11-24)20(25)26/h1,4-9,12,14H,2-3,10-11H2,(H,25,26)/t14-/m0/s1
InChIKeyMFHHSAOEKGBJGL-AWEZNQCLSA-N
MW367.84 g/mol
LogP4.25
Rot. Bonds3

About (3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid

(3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid (PubChem CID 134220216) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is (3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
PubChem CID134220216
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name(3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(c2ncnc3cccc(-c4ccc(Cl)cc4)c23)C1
InChIInChI=1S/C20H18ClN3O2/c21-15-8-6-13(7-9-15)16-4-1-5-17-18(16)19(23-12-22-17)24-10-2-3-14(11-24)20(25)26/h1,4-9,12,14H,2-3,10-11H2,(H,25,26)/t14-/m0/s1
InChIKeyMFHHSAOEKGBJGL-AWEZNQCLSA-N
XLogP4.25
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220226
(3R)-1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220358
1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134210616
1-[5-(4-chlorothiophen-2-yl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134210570
1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220206
1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide
CID 134210536
(3S)-1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 157377652
1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134220212
1-[5-(1-benzofuran-4-yl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134210414
1-(8-fluoro-5-phenylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134210538
1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]-N-methylsulfanylpiperidine-3-carboxamide
CID 134220274
1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134220166

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid (CID 134220216) is (3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(c2ncnc3cccc(-c4ccc(Cl)cc4)c23)C1.
What is the InChIKey of (3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid?
The InChIKey is MFHHSAOEKGBJGL-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-15-8-6-13(7-9-15)16-4-1-5-17-18(16)19(23-12-22-17)24-10-2-3-14(11-24)20(25)26/h1,4-9,12,14H,2-3,10-11H2,(H,25,26)/t14-/m0/s1.
What are the key properties of (3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid?
(3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid has a molecular weight of 367.84 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 134220216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).