N-[(2,4-dimethoxyphenyl)methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-c]quinazolin-5-amine

C27H33N5O2 — CID 138721226

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-c]quinazolin-5-amine
SMILESCOc1ccc(CNc2nc3ccccc3c3nc(CN4CCC(C)(C)CC4)cn23)c(OC)c1
InChIInChI=1S/C27H33N5O2/c1-27(2)11-13-31(14-12-27)17-20-18-32-25(29-20)22-7-5-6-8-23(22)30-26(32)28-16-19-9-10-21(33-3)15-24(19)34-4/h5-10,15,18H,11-14,16-17H2,1-4H3,(H,28,30)
InChIKeyJSBOBYZDCCFUGO-UHFFFAOYSA-N
MW459.59 g/mol
LogP5.13
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-c]quinazolin-5-amine

N-[(2,4-dimethoxyphenyl)methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-c]quinazolin-5-amine (PubChem CID 138721226) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-c]quinazolin-5-amine
PubChem CID138721226
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-c]quinazolin-5-amine
SMILESCOc1ccc(CNc2nc3ccccc3c3nc(CN4CCC(C)(C)CC4)cn23)c(OC)c1
InChIInChI=1S/C27H33N5O2/c1-27(2)11-13-31(14-12-27)17-20-18-32-25(29-20)22-7-5-6-8-23(22)30-26(32)28-16-19-9-10-21(33-3)15-24(19)34-4/h5-10,15,18H,11-14,16-17H2,1-4H3,(H,28,30)
InChIKeyJSBOBYZDCCFUGO-UHFFFAOYSA-N
XLogP5.13
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-c]quinazolin-5-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-c]quinazolin-5-amine (CID 138721226) is N-[(2,4-dimethoxyphenyl)methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-c]quinazolin-5-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-c]quinazolin-5-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-c]quinazolin-5-amine is COc1ccc(CNc2nc3ccccc3c3nc(CN4CCC(C)(C)CC4)cn23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-c]quinazolin-5-amine?
The InChIKey is JSBOBYZDCCFUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-27(2)11-13-31(14-12-27)17-20-18-32-25(29-20)22-7-5-6-8-23(22)30-26(32)28-16-19-9-10-21(33-3)15-24(19)34-4/h5-10,15,18H,11-14,16-17H2,1-4H3,(H,28,30).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-c]quinazolin-5-amine?
N-[(2,4-dimethoxyphenyl)methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-c]quinazolin-5-amine has a molecular weight of 459.59 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-c]quinazolin-5-amine is sourced from PubChem (CID 138721226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).