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

C25H26N6O2 — CID 163290781

IUPAC[6-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-2-pyridinyl]methanol
SMILESCOc1cc2c(cc1Nc1ncc3ccc(Nc4cccc(CO)n4)cc3n1)CN(C)CC2
InChIInChI=1S/C25H26N6O2/c1-31-9-8-16-11-23(33-2)22(10-18(16)14-31)30-25-26-13-17-6-7-19(12-21(17)29-25)27-24-5-3-4-20(15-32)28-24/h3-7,10-13,32H,8-9,14-15H2,1-2H3,(H,27,28)(H,26,29,30)
InChIKeyXJUDKDWODQHYDB-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.00
Rot. Bonds6

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

[6-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-2-pyridinyl]methanol (PubChem CID 163290781) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is [6-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-2-pyridinyl]methanol
PubChem CID163290781
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name[6-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-2-pyridinyl]methanol
SMILESCOc1cc2c(cc1Nc1ncc3ccc(Nc4cccc(CO)n4)cc3n1)CN(C)CC2
InChIInChI=1S/C25H26N6O2/c1-31-9-8-16-11-23(33-2)22(10-18(16)14-31)30-25-26-13-17-6-7-19(12-21(17)29-25)27-24-5-3-4-20(15-32)28-24/h3-7,10-13,32H,8-9,14-15H2,1-2H3,(H,27,28)(H,26,29,30)
InChIKeyXJUDKDWODQHYDB-UHFFFAOYSA-N
XLogP4.00
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol
CID 163290805
[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
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
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
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
4-[3-(1-aminoethyl)anilino]-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidine-5-carboxamide
CID 163291324
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
4-[5-chloro-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]oxy-3-methylphenol
CID 170076545
[(1S,3R)-3-[6-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]methanol
CID 165171946
(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
1-[5-chloro-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-2H-indole-3-carboxylic acid
CID 155462267

Frequently Asked Questions

What is the IUPAC name of [6-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-2-pyridinyl]methanol?
The IUPAC name of [6-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-2-pyridinyl]methanol (CID 163290781) is [6-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-2-pyridinyl]methanol?
The canonical SMILES for [6-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-2-pyridinyl]methanol is COc1cc2c(cc1Nc1ncc3ccc(Nc4cccc(CO)n4)cc3n1)CN(C)CC2.
What is the InChIKey of [6-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-2-pyridinyl]methanol?
The InChIKey is XJUDKDWODQHYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-31-9-8-16-11-23(33-2)22(10-18(16)14-31)30-25-26-13-17-6-7-19(12-21(17)29-25)27-24-5-3-4-20(15-32)28-24/h3-7,10-13,32H,8-9,14-15H2,1-2H3,(H,27,28)(H,26,29,30).
What are the key properties of [6-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-2-pyridinyl]methanol?
[6-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-2-pyridinyl]methanol has a molecular weight of 442.52 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-2-pyridinyl]methanol is sourced from PubChem (CID 163290781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).