4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol

C25H31N5O2 — CID 163290805

IUPAC4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol
SMILESCOc1cc2c(cc1Nc1ncc3ccc(NC4CCC(O)CC4)cc3n1)CN(C)CC2
InChIInChI=1S/C25H31N5O2/c1-30-10-9-16-12-24(32-2)23(11-18(16)15-30)29-25-26-14-17-3-4-20(13-22(17)28-25)27-19-5-7-21(31)8-6-19/h3-4,11-14,19,21,27,31H,5-10,15H2,1-2H3,(H,26,28,29)
InChIKeyXKYLLAGQXYYJOG-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.09
Rot. Bonds5

About 4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol

4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol (PubChem CID 163290805) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol
PubChem CID163290805
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol
SMILESCOc1cc2c(cc1Nc1ncc3ccc(NC4CCC(O)CC4)cc3n1)CN(C)CC2
InChIInChI=1S/C25H31N5O2/c1-30-10-9-16-12-24(32-2)23(11-18(16)15-30)29-25-26-14-17-3-4-20(13-22(17)28-25)27-19-5-7-21(31)8-6-19/h3-4,11-14,19,21,27,31H,5-10,15H2,1-2H3,(H,26,28,29)
InChIKeyXKYLLAGQXYYJOG-UHFFFAOYSA-N
XLogP4.09
TPSA82.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

[6-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-2-pyridinyl]methanol
CID 163290781
N-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-7-[1-(oxan-2-yl)pyrazol-4-yl]quinazolin-2-amine
CID 170039250
6-methoxy-2-methyl-N-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 165171835
(4R)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 163290706
2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-4-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
CID 163291420
3-[(3S)-1-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]piperidin-3-yl]-1,3-oxazolidin-2-one
CID 163290956
3-[6-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
CID 174213565
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine
CID 163290990
[2-[[5-amino-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-4-pyridinyl]methanol
CID 164514770
(5S)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 175714434
4-[5-chloro-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]oxy-3-methylphenol
CID 170076545
4-[[7-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]-N-propan-2-ylbenzamide
CID 67101940

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol (CID 163290805) is 4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol is COc1cc2c(cc1Nc1ncc3ccc(NC4CCC(O)CC4)cc3n1)CN(C)CC2.
What is the InChIKey of 4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol?
The InChIKey is XKYLLAGQXYYJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-30-10-9-16-12-24(32-2)23(11-18(16)15-30)29-25-26-14-17-3-4-20(13-22(17)28-25)27-19-5-7-21(31)8-6-19/h3-4,11-14,19,21,27,31H,5-10,15H2,1-2H3,(H,26,28,29).
What are the key properties of 4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol?
4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol has a molecular weight of 433.56 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 163290805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).