4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine

C22H22N4 — CID 112933469

IUPAC4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nc(-c2ccccc2)cc(N2CCCc3ccccc32)n1
InChIInChI=1S/C22H22N4/c1-2-14-23-22-24-19(17-9-4-3-5-10-17)16-21(25-22)26-15-8-12-18-11-6-7-13-20(18)26/h2-7,9-11,13,16H,1,8,12,14-15H2,(H,23,24,25)
InChIKeySXOGLAGNVKHZNR-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.83
Rot. Bonds5

About 4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine

4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine (PubChem CID 112933469) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
PubChem CID112933469
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nc(-c2ccccc2)cc(N2CCCc3ccccc32)n1
InChIInChI=1S/C22H22N4/c1-2-14-23-22-24-19(17-9-4-3-5-10-17)16-21(25-22)26-15-8-12-18-11-6-7-13-20(18)26/h2-7,9-11,13,16H,1,8,12,14-15H2,(H,23,24,25)
InChIKeySXOGLAGNVKHZNR-UHFFFAOYSA-N
XLogP4.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
CID 112933523
4-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)-6-phenylpyrimidin-2-amine
CID 112935296
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
CID 112933440
4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936636
N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112913021
6-(3,4-dihydro-2H-quinolin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 84574378
4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112932919
N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine
CID 112911256
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112880877
2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933250
N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine
CID 112922676
N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887804

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine (CID 112933469) is 4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine is C=CCNc1nc(-c2ccccc2)cc(N2CCCc3ccccc32)n1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine?
The InChIKey is SXOGLAGNVKHZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-2-14-23-22-24-19(17-9-4-3-5-10-17)16-21(25-22)26-15-8-12-18-11-6-7-13-20(18)26/h2-7,9-11,13,16H,1,8,12,14-15H2,(H,23,24,25).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine?
4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine has a molecular weight of 342.45 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 112933469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).