6-prop-2-enyl-7,8,9,9a,10,10a-hexahydro-4aH-pyrido[2,3-g]quinazoline

C14H19N3 — CID 70468728

IUPAC6-prop-2-enyl-7,8,9,9a,10,10a-hexahydro-4aH-pyrido[2,3-g]quinazoline
SMILESC=CCN1CCCC2CC3N=CN=CC3C=C21
InChIInChI=1S/C14H19N3/c1-2-5-17-6-3-4-11-7-13-12(8-14(11)17)9-15-10-16-13/h2,8-13H,1,3-7H2
InChIKeyVCUVEJWIHSBZKX-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.27
Rot. Bonds2

About 6-prop-2-enyl-7,8,9,9a,10,10a-hexahydro-4aH-pyrido[2,3-g]quinazoline

6-prop-2-enyl-7,8,9,9a,10,10a-hexahydro-4aH-pyrido[2,3-g]quinazoline (PubChem CID 70468728) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 6-prop-2-enyl-7,8,9,9a,10,10a-hexahydro-4aH-pyrido[2,3-g]quinazoline.

Molecular Properties

Compound Name6-prop-2-enyl-7,8,9,9a,10,10a-hexahydro-4aH-pyrido[2,3-g]quinazoline
PubChem CID70468728
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name6-prop-2-enyl-7,8,9,9a,10,10a-hexahydro-4aH-pyrido[2,3-g]quinazoline
SMILESC=CCN1CCCC2CC3N=CN=CC3C=C21
InChIInChI=1S/C14H19N3/c1-2-5-17-6-3-4-11-7-13-12(8-14(11)17)9-15-10-16-13/h2,8-13H,1,3-7H2
InChIKeyVCUVEJWIHSBZKX-UHFFFAOYSA-N
XLogP2.27
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-prop-2-enyl-7,8,9,9a,10,10a-hexahydro-4aH-pyrido[2,3-g]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enyl-7,8,9,9a,10,10a-hexahydro-4aH-pyrido[2,3-g]quinazoline?
The IUPAC name of 6-prop-2-enyl-7,8,9,9a,10,10a-hexahydro-4aH-pyrido[2,3-g]quinazoline (CID 70468728) is 6-prop-2-enyl-7,8,9,9a,10,10a-hexahydro-4aH-pyrido[2,3-g]quinazoline.
What is the SMILES notation for 6-prop-2-enyl-7,8,9,9a,10,10a-hexahydro-4aH-pyrido[2,3-g]quinazoline?
The canonical SMILES for 6-prop-2-enyl-7,8,9,9a,10,10a-hexahydro-4aH-pyrido[2,3-g]quinazoline is C=CCN1CCCC2CC3N=CN=CC3C=C21.
What is the InChIKey of 6-prop-2-enyl-7,8,9,9a,10,10a-hexahydro-4aH-pyrido[2,3-g]quinazoline?
The InChIKey is VCUVEJWIHSBZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-5-17-6-3-4-11-7-13-12(8-14(11)17)9-15-10-16-13/h2,8-13H,1,3-7H2.
What are the key properties of 6-prop-2-enyl-7,8,9,9a,10,10a-hexahydro-4aH-pyrido[2,3-g]quinazoline?
6-prop-2-enyl-7,8,9,9a,10,10a-hexahydro-4aH-pyrido[2,3-g]quinazoline has a molecular weight of 229.33 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-7,8,9,9a,10,10a-hexahydro-4aH-pyrido[2,3-g]quinazoline is sourced from PubChem (CID 70468728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).