2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]quinazoline

C18H17N3 — CID 129391704

IUPAC2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]quinazoline
SMILESCN1Cc2ccccc2[C@@H](c2ncc3ccccc3n2)C1
InChIInChI=1S/C18H17N3/c1-21-11-14-7-2-4-8-15(14)16(12-21)18-19-10-13-6-3-5-9-17(13)20-18/h2-10,16H,11-12H2,1H3/t16-/m0/s1
InChIKeyVKOXAWMIVMBFGK-INIZCTEOSA-N
MW275.36 g/mol
LogP3.21
Rot. Bonds1

About 2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]quinazoline

2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]quinazoline (PubChem CID 129391704) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]quinazoline.

Molecular Properties

Compound Name2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]quinazoline
PubChem CID129391704
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]quinazoline
SMILESCN1Cc2ccccc2[C@@H](c2ncc3ccccc3n2)C1
InChIInChI=1S/C18H17N3/c1-21-11-14-7-2-4-8-15(14)16(12-21)18-19-10-13-6-3-5-9-17(13)20-18/h2-10,16H,11-12H2,1H3/t16-/m0/s1
InChIKeyVKOXAWMIVMBFGK-INIZCTEOSA-N
XLogP3.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1,3-benzothiazole
CID 11687769
(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 129384739
6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline
CID 68996107
7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline
CID 68998146
6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline
CID 129394089
7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline
CID 129385280
7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline
CID 129394657
4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995503
2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[3,2-b]pyridine
CID 11630541
trimethyl-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)silane
CID 13058280
(4S)-4-(1H-inden-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 129364261
3-quinazolin-2-ylcyclobutan-1-amine
CID 155173666

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]quinazoline?
The IUPAC name of 2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]quinazoline (CID 129391704) is 2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]quinazoline.
What is the SMILES notation for 2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]quinazoline?
The canonical SMILES for 2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]quinazoline is CN1Cc2ccccc2[C@@H](c2ncc3ccccc3n2)C1.
What is the InChIKey of 2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]quinazoline?
The InChIKey is VKOXAWMIVMBFGK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17N3/c1-21-11-14-7-2-4-8-15(14)16(12-21)18-19-10-13-6-3-5-9-17(13)20-18/h2-10,16H,11-12H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]quinazoline?
2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]quinazoline has a molecular weight of 275.36 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]quinazoline is sourced from PubChem (CID 129391704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).