1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol

C26H31N5O3 — CID 138689661

IUPAC1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol
SMILESCOc1ccc(CNc2nc3ccccc3c3nc(CN4CCC(C)(O)CC4)cn23)c(OC)c1
InChIInChI=1S/C26H31N5O3/c1-26(32)10-12-30(13-11-26)16-19-17-31-24(28-19)21-6-4-5-7-22(21)29-25(31)27-15-18-8-9-20(33-2)14-23(18)34-3/h4-9,14,17,32H,10-13,15-16H2,1-3H3,(H,27,29)
InChIKeyIYPWQKIOTCJVNQ-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.86
Rot. Bonds7

About 1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol

1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol (PubChem CID 138689661) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol
PubChem CID138689661
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol
SMILESCOc1ccc(CNc2nc3ccccc3c3nc(CN4CCC(C)(O)CC4)cn23)c(OC)c1
InChIInChI=1S/C26H31N5O3/c1-26(32)10-12-30(13-11-26)16-19-17-31-24(28-19)21-6-4-5-7-22(21)29-25(31)27-15-18-8-9-20(33-2)14-23(18)34-3/h4-9,14,17,32H,10-13,15-16H2,1-3H3,(H,27,29)
InChIKeyIYPWQKIOTCJVNQ-UHFFFAOYSA-N
XLogP3.86
TPSA84.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol (CID 138689661) is 1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol is COc1ccc(CNc2nc3ccccc3c3nc(CN4CCC(C)(O)CC4)cn23)c(OC)c1.
What is the InChIKey of 1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol?
The InChIKey is IYPWQKIOTCJVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-26(32)10-12-30(13-11-26)16-19-17-31-24(28-19)21-6-4-5-7-22(21)29-25(31)27-15-18-8-9-20(33-2)14-23(18)34-3/h4-9,14,17,32H,10-13,15-16H2,1-3H3,(H,27,29).
What are the key properties of 1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol?
1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol has a molecular weight of 461.57 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,2-c]quinazolin-2-yl]methyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 138689661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).