[4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone

C20H19ClN4O — CID 85471593

IUPAC[4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2nc(Cl)nc3ccccc23)cc1)N1CCCCC1
InChIInChI=1S/C20H19ClN4O/c21-20-23-17-7-3-2-6-16(17)18(24-20)22-15-10-8-14(9-11-15)19(26)25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-13H2,(H,22,23,24)
InChIKeyKEWIPMLILUQSFK-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.65
Rot. Bonds3

About [4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone

[4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone (PubChem CID 85471593) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is [4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone
PubChem CID85471593
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name[4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2nc(Cl)nc3ccccc23)cc1)N1CCCCC1
InChIInChI=1S/C20H19ClN4O/c21-20-23-17-7-3-2-6-16(17)18(24-20)22-15-10-8-14(9-11-15)19(26)25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-13H2,(H,22,23,24)
InChIKeyKEWIPMLILUQSFK-UHFFFAOYSA-N
XLogP4.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chloroquinazolin-4-yl)amino]benzoic acid
CID 22692967
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetic acid
CID 22693237
N-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide
CID 22693251
2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 22692746
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
6-[[4-(azepane-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119181942
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
[4-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 75511167
[4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone
CID 155525147
2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one
CID 17471641
piperidin-1-yl-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenyl]methanone
CID 26448373

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone (CID 85471593) is [4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(Nc2nc(Cl)nc3ccccc23)cc1)N1CCCCC1.
What is the InChIKey of [4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone?
The InChIKey is KEWIPMLILUQSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-20-23-17-7-3-2-6-16(17)18(24-20)22-15-10-8-14(9-11-15)19(26)25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-13H2,(H,22,23,24).
What are the key properties of [4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone?
[4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone has a molecular weight of 366.85 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 85471593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).