2-(2-chlorophenyl)-4-(5-prop-1-enyl-6-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-1-yl)quinazoline

C25H24ClN3 — CID 123611413

IUPAC2-(2-chlorophenyl)-4-(5-prop-1-enyl-6-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-1-yl)quinazoline
SMILESC=C(C)C1=C(C=CC)CCCN1c1nc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C25H24ClN3/c1-4-10-18-11-9-16-29(23(18)17(2)3)25-20-13-6-8-15-22(20)27-24(28-25)19-12-5-7-14-21(19)26/h4-8,10,12-15H,2,9,11,16H2,1,3H3
InChIKeyXOOXOOOXOPGFNE-UHFFFAOYSA-N
MW401.94 g/mol
LogP6.96
Rot. Bonds4

About 2-(2-chlorophenyl)-4-(5-prop-1-enyl-6-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-1-yl)quinazoline

2-(2-chlorophenyl)-4-(5-prop-1-enyl-6-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-1-yl)quinazoline (PubChem CID 123611413) has the molecular formula C25H24ClN3 and a molecular weight of 401.94 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(5-prop-1-enyl-6-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-1-yl)quinazoline.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(5-prop-1-enyl-6-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-1-yl)quinazoline
PubChem CID123611413
Molecular FormulaC25H24ClN3
Molecular Weight401.94 g/mol
Exact Mass401.17
IUPAC Name2-(2-chlorophenyl)-4-(5-prop-1-enyl-6-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-1-yl)quinazoline
SMILESC=C(C)C1=C(C=CC)CCCN1c1nc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C25H24ClN3/c1-4-10-18-11-9-16-29(23(18)17(2)3)25-20-13-6-8-15-22(20)27-24(28-25)19-12-5-7-14-21(19)26/h4-8,10,12-15H,2,9,11,16H2,1,3H3
InChIKeyXOOXOOOXOPGFNE-UHFFFAOYSA-N
XLogP6.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.94
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(5-prop-1-enyl-6-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-1-yl)quinazoline?
The IUPAC name of 2-(2-chlorophenyl)-4-(5-prop-1-enyl-6-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-1-yl)quinazoline (CID 123611413) is 2-(2-chlorophenyl)-4-(5-prop-1-enyl-6-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-1-yl)quinazoline.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(5-prop-1-enyl-6-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-1-yl)quinazoline?
The canonical SMILES for 2-(2-chlorophenyl)-4-(5-prop-1-enyl-6-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-1-yl)quinazoline is C=C(C)C1=C(C=CC)CCCN1c1nc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-4-(5-prop-1-enyl-6-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-1-yl)quinazoline?
The InChIKey is XOOXOOOXOPGFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3/c1-4-10-18-11-9-16-29(23(18)17(2)3)25-20-13-6-8-15-22(20)27-24(28-25)19-12-5-7-14-21(19)26/h4-8,10,12-15H,2,9,11,16H2,1,3H3.
What are the key properties of 2-(2-chlorophenyl)-4-(5-prop-1-enyl-6-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-1-yl)quinazoline?
2-(2-chlorophenyl)-4-(5-prop-1-enyl-6-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-1-yl)quinazoline has a molecular weight of 401.94 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(5-prop-1-enyl-6-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-1-yl)quinazoline is sourced from PubChem (CID 123611413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).