2-(3,4-dihydropyridin-3-yl)-6-(2,3-dimethylcyclohexa-2,4-dien-1-yl)-N-methyl-6,7-dihydroquinazolin-4-amine

C22H26N4 — CID 135128003

IUPAC2-(3,4-dihydropyridin-3-yl)-6-(2,3-dimethylcyclohexa-2,4-dien-1-yl)-N-methyl-6,7-dihydroquinazolin-4-amine
SMILESCNc1nc(C2C=NC=CC2)nc2c1=CC(C1CC=CC(C)=C1C)CC=2
InChIInChI=1S/C22H26N4/c1-14-6-4-8-18(15(14)2)16-9-10-20-19(12-16)22(23-3)26-21(25-20)17-7-5-11-24-13-17/h4-6,10-13,16-18H,7-9H2,1-3H3,(H,23,25,26)
InChIKeyXKCJJSMBMNSWSE-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.08
Rot. Bonds3

About 2-(3,4-dihydropyridin-3-yl)-6-(2,3-dimethylcyclohexa-2,4-dien-1-yl)-N-methyl-6,7-dihydroquinazolin-4-amine

2-(3,4-dihydropyridin-3-yl)-6-(2,3-dimethylcyclohexa-2,4-dien-1-yl)-N-methyl-6,7-dihydroquinazolin-4-amine (PubChem CID 135128003) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(3,4-dihydropyridin-3-yl)-6-(2,3-dimethylcyclohexa-2,4-dien-1-yl)-N-methyl-6,7-dihydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydropyridin-3-yl)-6-(2,3-dimethylcyclohexa-2,4-dien-1-yl)-N-methyl-6,7-dihydroquinazolin-4-amine
PubChem CID135128003
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name2-(3,4-dihydropyridin-3-yl)-6-(2,3-dimethylcyclohexa-2,4-dien-1-yl)-N-methyl-6,7-dihydroquinazolin-4-amine
SMILESCNc1nc(C2C=NC=CC2)nc2c1=CC(C1CC=CC(C)=C1C)CC=2
InChIInChI=1S/C22H26N4/c1-14-6-4-8-18(15(14)2)16-9-10-20-19(12-16)22(23-3)26-21(25-20)17-7-5-11-24-13-17/h4-6,10-13,16-18H,7-9H2,1-3H3,(H,23,25,26)
InChIKeyXKCJJSMBMNSWSE-UHFFFAOYSA-N
XLogP3.08
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydropyridin-3-yl)-6-(2,3-dimethylcyclohexa-2,4-dien-1-yl)-N-methyl-6,7-dihydroquinazolin-4-amine?
The IUPAC name of 2-(3,4-dihydropyridin-3-yl)-6-(2,3-dimethylcyclohexa-2,4-dien-1-yl)-N-methyl-6,7-dihydroquinazolin-4-amine (CID 135128003) is 2-(3,4-dihydropyridin-3-yl)-6-(2,3-dimethylcyclohexa-2,4-dien-1-yl)-N-methyl-6,7-dihydroquinazolin-4-amine.
What is the SMILES notation for 2-(3,4-dihydropyridin-3-yl)-6-(2,3-dimethylcyclohexa-2,4-dien-1-yl)-N-methyl-6,7-dihydroquinazolin-4-amine?
The canonical SMILES for 2-(3,4-dihydropyridin-3-yl)-6-(2,3-dimethylcyclohexa-2,4-dien-1-yl)-N-methyl-6,7-dihydroquinazolin-4-amine is CNc1nc(C2C=NC=CC2)nc2c1=CC(C1CC=CC(C)=C1C)CC=2.
What is the InChIKey of 2-(3,4-dihydropyridin-3-yl)-6-(2,3-dimethylcyclohexa-2,4-dien-1-yl)-N-methyl-6,7-dihydroquinazolin-4-amine?
The InChIKey is XKCJJSMBMNSWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-14-6-4-8-18(15(14)2)16-9-10-20-19(12-16)22(23-3)26-21(25-20)17-7-5-11-24-13-17/h4-6,10-13,16-18H,7-9H2,1-3H3,(H,23,25,26).
What are the key properties of 2-(3,4-dihydropyridin-3-yl)-6-(2,3-dimethylcyclohexa-2,4-dien-1-yl)-N-methyl-6,7-dihydroquinazolin-4-amine?
2-(3,4-dihydropyridin-3-yl)-6-(2,3-dimethylcyclohexa-2,4-dien-1-yl)-N-methyl-6,7-dihydroquinazolin-4-amine has a molecular weight of 346.48 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydropyridin-3-yl)-6-(2,3-dimethylcyclohexa-2,4-dien-1-yl)-N-methyl-6,7-dihydroquinazolin-4-amine is sourced from PubChem (CID 135128003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).