4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde

C24H25N5O — CID 112936636

IUPAC4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2nc(-c3ccccc3)cc(N3CCCc4ccccc43)n2)CC1
InChIInChI=1S/C24H25N5O/c30-18-27-13-15-28(16-14-27)24-25-21(19-7-2-1-3-8-19)17-23(26-24)29-12-6-10-20-9-4-5-11-22(20)29/h1-5,7-9,11,17-18H,6,10,12-16H2
InChIKeyUOHKMIQBBNSTRQ-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.51
Rot. Bonds4

About 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde

4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde (PubChem CID 112936636) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
PubChem CID112936636
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2nc(-c3ccccc3)cc(N3CCCc4ccccc43)n2)CC1
InChIInChI=1S/C24H25N5O/c30-18-27-13-15-28(16-14-27)24-25-21(19-7-2-1-3-8-19)17-23(26-24)29-12-6-10-20-9-4-5-11-22(20)29/h1-5,7-9,11,17-18H,6,10,12-16H2
InChIKeyUOHKMIQBBNSTRQ-UHFFFAOYSA-N
XLogP3.51
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
CID 112935367
4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine
CID 112912308
4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
CID 112933469
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline
CID 112898916
ethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate
CID 112923366
4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112934251
2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112936358
1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112914025
4-[4-(4-fluoroanilino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936647
1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 112934085
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112898344
1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112885319

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde (CID 112936636) is 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde is O=CN1CCN(c2nc(-c3ccccc3)cc(N3CCCc4ccccc43)n2)CC1.
What is the InChIKey of 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde?
The InChIKey is UOHKMIQBBNSTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c30-18-27-13-15-28(16-14-27)24-25-21(19-7-2-1-3-8-19)17-23(26-24)29-12-6-10-20-9-4-5-11-22(20)29/h1-5,7-9,11,17-18H,6,10,12-16H2.
What are the key properties of 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde?
4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde has a molecular weight of 399.50 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 112936636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).