6-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine

C18H18N4 — CID 70864138

IUPAC6-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
SMILESCc1ccc2nc(Nc3ccc4c(c3)CNCC4)ncc2c1
InChIInChI=1S/C18H18N4/c1-12-2-5-17-15(8-12)11-20-18(22-17)21-16-4-3-13-6-7-19-10-14(13)9-16/h2-5,8-9,11,19H,6-7,10H2,1H3,(H,20,21,22)
InChIKeyQCMXDACDNDVRTF-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.33
Rot. Bonds2

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

6-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine (PubChem CID 70864138) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine.

Molecular Properties

Compound Name6-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
PubChem CID70864138
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name6-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
SMILESCc1ccc2nc(Nc3ccc4c(c3)CNCC4)ncc2c1
InChIInChI=1S/C18H18N4/c1-12-2-5-17-15(8-12)11-20-18(22-17)21-16-4-3-13-6-7-19-10-14(13)9-16/h2-5,8-9,11,19H,6-7,10H2,1H3,(H,20,21,22)
InChIKeyQCMXDACDNDVRTF-UHFFFAOYSA-N
XLogP3.33
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-pyrimidin-2-yl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine
CID 175357106
3-(2,6-dimethylphenyl)-1-methyl-6-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 151585883
N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324271
4-N,4-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazoline-2,4-diamine
CID 166368992
1-methyl-3-N-phenyl-6-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 135377099
2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901319
6-(2,6-dichlorophenyl)-8-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[4,5-d]pyridazin-5-one
CID 71224163
N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557319
1-[6-(1-hydroxyethyl)-2-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536056
3-N-(2,6-difluorophenyl)-1-methyl-6-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 142470051
4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4,5-triamine
CID 156831460
5-methyl-4-N-[6-(1-propylcyclopropyl)-2-pyridinyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine
CID 155709323

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
The IUPAC name of 6-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine (CID 70864138) is 6-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine.
What is the SMILES notation for 6-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
The canonical SMILES for 6-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine is Cc1ccc2nc(Nc3ccc4c(c3)CNCC4)ncc2c1.
What is the InChIKey of 6-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
The InChIKey is QCMXDACDNDVRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-12-2-5-17-15(8-12)11-20-18(22-17)21-16-4-3-13-6-7-19-10-14(13)9-16/h2-5,8-9,11,19H,6-7,10H2,1H3,(H,20,21,22).
What are the key properties of 6-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
6-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine has a molecular weight of 290.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine is sourced from PubChem (CID 70864138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).