N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(3-morpholin-4-ylphenyl)quinazolin-2-amine

C28H29N5O2 — CID 163290915

IUPACN-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(3-morpholin-4-ylphenyl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cccc(N5CCOCC5)c4)cc3n1)CNCC2
InChIInChI=1S/C28H29N5O2/c1-34-27-16-21-7-8-29-17-23(21)15-26(27)32-28-30-18-22-6-5-20(14-25(22)31-28)19-3-2-4-24(13-19)33-9-11-35-12-10-33/h2-6,13-16,18,29H,7-12,17H2,1H3,(H,30,31,32)
InChIKeyVFGAMJJGOOVYMN-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.53
Rot. Bonds5

About N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(3-morpholin-4-ylphenyl)quinazolin-2-amine

N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(3-morpholin-4-ylphenyl)quinazolin-2-amine (PubChem CID 163290915) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(3-morpholin-4-ylphenyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(3-morpholin-4-ylphenyl)quinazolin-2-amine
PubChem CID163290915
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC NameN-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(3-morpholin-4-ylphenyl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cccc(N5CCOCC5)c4)cc3n1)CNCC2
InChIInChI=1S/C28H29N5O2/c1-34-27-16-21-7-8-29-17-23(21)15-26(27)32-28-30-18-22-6-5-20(14-25(22)31-28)19-3-2-4-24(13-19)33-9-11-35-12-10-33/h2-6,13-16,18,29H,7-12,17H2,1H3,(H,30,31,32)
InChIKeyVFGAMJJGOOVYMN-UHFFFAOYSA-N
XLogP4.53
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(3-morpholin-4-ylphenyl)quinazolin-2-amine?
The IUPAC name of N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(3-morpholin-4-ylphenyl)quinazolin-2-amine (CID 163290915) is N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(3-morpholin-4-ylphenyl)quinazolin-2-amine.
What is the SMILES notation for N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(3-morpholin-4-ylphenyl)quinazolin-2-amine?
The canonical SMILES for N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(3-morpholin-4-ylphenyl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4cccc(N5CCOCC5)c4)cc3n1)CNCC2.
What is the InChIKey of N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(3-morpholin-4-ylphenyl)quinazolin-2-amine?
The InChIKey is VFGAMJJGOOVYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-34-27-16-21-7-8-29-17-23(21)15-26(27)32-28-30-18-22-6-5-20(14-25(22)31-28)19-3-2-4-24(13-19)33-9-11-35-12-10-33/h2-6,13-16,18,29H,7-12,17H2,1H3,(H,30,31,32).
What are the key properties of N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(3-morpholin-4-ylphenyl)quinazolin-2-amine?
N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(3-morpholin-4-ylphenyl)quinazolin-2-amine has a molecular weight of 467.57 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(3-morpholin-4-ylphenyl)quinazolin-2-amine is sourced from PubChem (CID 163290915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).