N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-amine

C25H22N6O — CID 163290825

IUPACN-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cncc5[nH]ccc45)cc3n1)CNCC2
InChIInChI=1S/C25H22N6O/c1-32-24-10-15-4-6-26-11-18(15)9-22(24)31-25-29-12-17-3-2-16(8-21(17)30-25)20-13-27-14-23-19(20)5-7-28-23/h2-3,5,7-10,12-14,26,28H,4,6,11H2,1H3,(H,29,30,31)
InChIKeyGZYSBJFQLNZQBY-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.57
Rot. Bonds4

About N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-amine

N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-amine (PubChem CID 163290825) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-amine
PubChem CID163290825
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC NameN-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cncc5[nH]ccc45)cc3n1)CNCC2
InChIInChI=1S/C25H22N6O/c1-32-24-10-15-4-6-26-11-18(15)9-22(24)31-25-29-12-17-3-2-16(8-21(17)30-25)20-13-27-14-23-19(20)5-7-28-23/h2-3,5,7-10,12-14,26,28H,4,6,11H2,1H3,(H,29,30,31)
InChIKeyGZYSBJFQLNZQBY-UHFFFAOYSA-N
XLogP4.57
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-amine?
The IUPAC name of N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-amine (CID 163290825) is N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-amine.
What is the SMILES notation for N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-amine?
The canonical SMILES for N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4cncc5[nH]ccc45)cc3n1)CNCC2.
What is the InChIKey of N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-amine?
The InChIKey is GZYSBJFQLNZQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c1-32-24-10-15-4-6-26-11-18(15)9-22(24)31-25-29-12-17-3-2-16(8-21(17)30-25)20-13-27-14-23-19(20)5-7-28-23/h2-3,5,7-10,12-14,26,28H,4,6,11H2,1H3,(H,29,30,31).
What are the key properties of N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-amine?
N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-amine has a molecular weight of 422.49 g/mol, XLogP of 4.57, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-amine is sourced from PubChem (CID 163290825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).