7-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine

C28H29N5O2 — CID 163290932

IUPAC7-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(OCc4ccc5c(c4)CNC5)cc3n1)CN(C)CC2
InChIInChI=1S/C28H29N5O2/c1-33-8-7-19-11-27(34-2)26(10-23(19)16-33)32-28-30-15-21-5-6-24(12-25(21)31-28)35-17-18-3-4-20-13-29-14-22(20)9-18/h3-6,9-12,15,29H,7-8,13-14,16-17H2,1-2H3,(H,30,31,32)
InChIKeyZFCXGJQYNBPWLB-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.55
Rot. Bonds6

About 7-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine

7-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine (PubChem CID 163290932) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 7-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine
PubChem CID163290932
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name7-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(OCc4ccc5c(c4)CNC5)cc3n1)CN(C)CC2
InChIInChI=1S/C28H29N5O2/c1-33-8-7-19-11-27(34-2)26(10-23(19)16-33)32-28-30-15-21-5-6-24(12-25(21)31-28)35-17-18-3-4-20-13-29-14-22(20)9-18/h3-6,9-12,15,29H,7-8,13-14,16-17H2,1-2H3,(H,30,31,32)
InChIKeyZFCXGJQYNBPWLB-UHFFFAOYSA-N
XLogP4.55
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
The IUPAC name of 7-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine (CID 163290932) is 7-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine.
What is the SMILES notation for 7-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
The canonical SMILES for 7-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(OCc4ccc5c(c4)CNC5)cc3n1)CN(C)CC2.
What is the InChIKey of 7-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
The InChIKey is ZFCXGJQYNBPWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-33-8-7-19-11-27(34-2)26(10-23(19)16-33)32-28-30-15-21-5-6-24(12-25(21)31-28)35-17-18-3-4-20-13-29-14-22(20)9-18/h3-6,9-12,15,29H,7-8,13-14,16-17H2,1-2H3,(H,30,31,32).
What are the key properties of 7-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
7-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine has a molecular weight of 467.57 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine is sourced from PubChem (CID 163290932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).