[1-[2-[[(3-propyl-1,2-dihydroimidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperidin-4-yl]methanol

C25H32N6O — CID 142635124

IUPAC[1-[2-[[(3-propyl-1,2-dihydroimidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperidin-4-yl]methanol
SMILESCCCN1CNc2cc3c(NCc4ccccc4N4CCC(CO)CC4)ncnc3cc21
InChIInChI=1S/C25H32N6O/c1-2-9-31-17-29-22-12-20-21(13-24(22)31)27-16-28-25(20)26-14-19-5-3-4-6-23(19)30-10-7-18(15-32)8-11-30/h3-6,12-13,16,18,29,32H,2,7-11,14-15,17H2,1H3,(H,26,27,28)
InChIKeyWGTSITMSGCBXCN-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.05
Rot. Bonds7

About [1-[2-[[(3-propyl-1,2-dihydroimidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperidin-4-yl]methanol

[1-[2-[[(3-propyl-1,2-dihydroimidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperidin-4-yl]methanol (PubChem CID 142635124) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is [1-[2-[[(3-propyl-1,2-dihydroimidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[[(3-propyl-1,2-dihydroimidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperidin-4-yl]methanol
PubChem CID142635124
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name[1-[2-[[(3-propyl-1,2-dihydroimidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperidin-4-yl]methanol
SMILESCCCN1CNc2cc3c(NCc4ccccc4N4CCC(CO)CC4)ncnc3cc21
InChIInChI=1S/C25H32N6O/c1-2-9-31-17-29-22-12-20-21(13-24(22)31)27-16-28-25(20)26-14-19-5-3-4-6-23(19)30-10-7-18(15-32)8-11-30/h3-6,12-13,16,18,29,32H,2,7-11,14-15,17H2,1H3,(H,26,27,28)
InChIKeyWGTSITMSGCBXCN-UHFFFAOYSA-N
XLogP4.05
TPSA76.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[[(3-propyl-1,2-dihydroimidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[[(3-propyl-1,2-dihydroimidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperidin-4-yl]methanol (CID 142635124) is [1-[2-[[(3-propyl-1,2-dihydroimidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[[(3-propyl-1,2-dihydroimidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[[(3-propyl-1,2-dihydroimidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperidin-4-yl]methanol is CCCN1CNc2cc3c(NCc4ccccc4N4CCC(CO)CC4)ncnc3cc21.
What is the InChIKey of [1-[2-[[(3-propyl-1,2-dihydroimidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperidin-4-yl]methanol?
The InChIKey is WGTSITMSGCBXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-2-9-31-17-29-22-12-20-21(13-24(22)31)27-16-28-25(20)26-14-19-5-3-4-6-23(19)30-10-7-18(15-32)8-11-30/h3-6,12-13,16,18,29,32H,2,7-11,14-15,17H2,1H3,(H,26,27,28).
What are the key properties of [1-[2-[[(3-propyl-1,2-dihydroimidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperidin-4-yl]methanol?
[1-[2-[[(3-propyl-1,2-dihydroimidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperidin-4-yl]methanol has a molecular weight of 432.57 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[[(3-propyl-1,2-dihydroimidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 142635124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).