7-(3,4-dihydro-2H-chromen-6-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine

C27H26N4O2 — CID 163290726

IUPAC7-(3,4-dihydro-2H-chromen-6-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4ccc5c(c4)CCCO5)cc3n1)CNCC2
InChIInChI=1S/C27H26N4O2/c1-32-26-14-19-8-9-28-15-22(19)13-24(26)31-27-29-16-21-5-4-18(12-23(21)30-27)17-6-7-25-20(11-17)3-2-10-33-25/h4-7,11-14,16,28H,2-3,8-10,15H2,1H3,(H,29,30,31)
InChIKeyOQTSRFKFVKUKRI-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.02
Rot. Bonds4

About 7-(3,4-dihydro-2H-chromen-6-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine

7-(3,4-dihydro-2H-chromen-6-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine (PubChem CID 163290726) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 7-(3,4-dihydro-2H-chromen-6-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-(3,4-dihydro-2H-chromen-6-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
PubChem CID163290726
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name7-(3,4-dihydro-2H-chromen-6-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4ccc5c(c4)CCCO5)cc3n1)CNCC2
InChIInChI=1S/C27H26N4O2/c1-32-26-14-19-8-9-28-15-22(19)13-24(26)31-27-29-16-21-5-4-18(12-23(21)30-27)17-6-7-25-20(11-17)3-2-10-33-25/h4-7,11-14,16,28H,2-3,8-10,15H2,1H3,(H,29,30,31)
InChIKeyOQTSRFKFVKUKRI-UHFFFAOYSA-N
XLogP5.02
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(3,4-dihydro-2H-chromen-6-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine 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 7-(3,4-dihydro-2H-chromen-6-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
The IUPAC name of 7-(3,4-dihydro-2H-chromen-6-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine (CID 163290726) is 7-(3,4-dihydro-2H-chromen-6-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine.
What is the SMILES notation for 7-(3,4-dihydro-2H-chromen-6-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
The canonical SMILES for 7-(3,4-dihydro-2H-chromen-6-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4ccc5c(c4)CCCO5)cc3n1)CNCC2.
What is the InChIKey of 7-(3,4-dihydro-2H-chromen-6-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
The InChIKey is OQTSRFKFVKUKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-32-26-14-19-8-9-28-15-22(19)13-24(26)31-27-29-16-21-5-4-18(12-23(21)30-27)17-6-7-25-20(11-17)3-2-10-33-25/h4-7,11-14,16,28H,2-3,8-10,15H2,1H3,(H,29,30,31).
What are the key properties of 7-(3,4-dihydro-2H-chromen-6-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
7-(3,4-dihydro-2H-chromen-6-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine has a molecular weight of 438.53 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dihydro-2H-chromen-6-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine is sourced from PubChem (CID 163290726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).