4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde

C19H17ClN4O — CID 1115266

IUPAC4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C19H17ClN4O/c20-15-6-7-17-16(12-15)18(14-4-2-1-3-5-14)22-19(21-17)24-10-8-23(13-25)9-11-24/h1-7,12-13H,8-11H2
InChIKeyDCCJPXSNOLIHLD-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.23
Rot. Bonds3

About 4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde

4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde (PubChem CID 1115266) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde
PubChem CID1115266
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C19H17ClN4O/c20-15-6-7-17-16(12-15)18(14-4-2-1-3-5-14)22-19(21-17)24-10-8-23(13-25)9-11-24/h1-7,12-13H,8-11H2
InChIKeyDCCJPXSNOLIHLD-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 167936923
7-chloro-5-phenyl-1,4-benzodiazepin-2-one
CID 23615668
N-[4-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 167777332
4-(2,4-dichlorophenyl)piperazine-1-carbaldehyde
CID 143237581
(E)-4-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 1420706
3-[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]propanal
CID 58475577
6-nitro-4-phenyl-2-piperidin-1-ylquinazoline
CID 2893917
2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline
CID 2862104
N-[2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]-2-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazin-1-yl]-2-oxoacetamide
CID 167881802
6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3448032
3-[5-chloro-1-(6-chloro-4-phenylquinazolin-2-yl)indol-3-yl]-3-oxopropanoic acid
CID 11751891
4-[6-(4-formylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112881060

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde (CID 1115266) is 4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde is O=CN1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde?
The InChIKey is DCCJPXSNOLIHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-15-6-7-17-16(12-15)18(14-4-2-1-3-5-14)22-19(21-17)24-10-8-23(13-25)9-11-24/h1-7,12-13H,8-11H2.
What are the key properties of 4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde?
4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde has a molecular weight of 352.83 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde is sourced from PubChem (CID 1115266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).