N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(6-pyrazol-1-yl-3-pyridinyl)quinazolin-2-amine

C27H25N7O — CID 163290965

IUPACN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(6-pyrazol-1-yl-3-pyridinyl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4ccc(-n5cccn5)nc4)cc3n1)CN(C)CC2
InChIInChI=1S/C27H25N7O/c1-33-11-8-19-14-25(35-2)24(13-22(19)17-33)32-27-29-16-21-5-4-18(12-23(21)31-27)20-6-7-26(28-15-20)34-10-3-9-30-34/h3-7,9-10,12-16H,8,11,17H2,1-2H3,(H,29,31,32)
InChIKeyLYDPCTWMSRSQSD-UHFFFAOYSA-N
MW463.55 g/mol
LogP4.62
Rot. Bonds5

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

N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(6-pyrazol-1-yl-3-pyridinyl)quinazolin-2-amine (PubChem CID 163290965) has the molecular formula C27H25N7O and a molecular weight of 463.55 g/mol. Its IUPAC name is N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(6-pyrazol-1-yl-3-pyridinyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(6-pyrazol-1-yl-3-pyridinyl)quinazolin-2-amine
PubChem CID163290965
Molecular FormulaC27H25N7O
Molecular Weight463.55 g/mol
Exact Mass463.21
IUPAC NameN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(6-pyrazol-1-yl-3-pyridinyl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4ccc(-n5cccn5)nc4)cc3n1)CN(C)CC2
InChIInChI=1S/C27H25N7O/c1-33-11-8-19-14-25(35-2)24(13-22(19)17-33)32-27-29-16-21-5-4-18(12-23(21)31-27)20-6-7-26(28-15-20)34-10-3-9-30-34/h3-7,9-10,12-16H,8,11,17H2,1-2H3,(H,29,31,32)
InChIKeyLYDPCTWMSRSQSD-UHFFFAOYSA-N
XLogP4.62
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(6-pyrazol-1-yl-3-pyridinyl)quinazolin-2-amine?
The IUPAC name of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(6-pyrazol-1-yl-3-pyridinyl)quinazolin-2-amine (CID 163290965) is N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(6-pyrazol-1-yl-3-pyridinyl)quinazolin-2-amine.
What is the SMILES notation for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(6-pyrazol-1-yl-3-pyridinyl)quinazolin-2-amine?
The canonical SMILES for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(6-pyrazol-1-yl-3-pyridinyl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4ccc(-n5cccn5)nc4)cc3n1)CN(C)CC2.
What is the InChIKey of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(6-pyrazol-1-yl-3-pyridinyl)quinazolin-2-amine?
The InChIKey is LYDPCTWMSRSQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O/c1-33-11-8-19-14-25(35-2)24(13-22(19)17-33)32-27-29-16-21-5-4-18(12-23(21)31-27)20-6-7-26(28-15-20)34-10-3-9-30-34/h3-7,9-10,12-16H,8,11,17H2,1-2H3,(H,29,31,32).
What are the key properties of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(6-pyrazol-1-yl-3-pyridinyl)quinazolin-2-amine?
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(6-pyrazol-1-yl-3-pyridinyl)quinazolin-2-amine has a molecular weight of 463.55 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(6-pyrazol-1-yl-3-pyridinyl)quinazolin-2-amine is sourced from PubChem (CID 163290965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).