[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]-phenylmethanol

C27H26N4O4 — CID 138689651

IUPAC[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]-phenylmethanol
SMILESCOc1ccc(CNc2nc3c(OC)cccc3c3nc(C(O)c4ccccc4)cn23)c(OC)c1
InChIInChI=1S/C27H26N4O4/c1-33-19-13-12-18(23(14-19)35-3)15-28-27-30-24-20(10-7-11-22(24)34-2)26-29-21(16-31(26)27)25(32)17-8-5-4-6-9-17/h4-14,16,25,32H,15H2,1-3H3,(H,28,30)
InChIKeyMJJWTVZBBLWQCJ-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.60
Rot. Bonds8

About [5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]-phenylmethanol

[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]-phenylmethanol (PubChem CID 138689651) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is [5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]-phenylmethanol
PubChem CID138689651
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]-phenylmethanol
SMILESCOc1ccc(CNc2nc3c(OC)cccc3c3nc(C(O)c4ccccc4)cn23)c(OC)c1
InChIInChI=1S/C27H26N4O4/c1-33-19-13-12-18(23(14-19)35-3)15-28-27-30-24-20(10-7-11-22(24)34-2)26-29-21(16-31(26)27)25(32)17-8-5-4-6-9-17/h4-14,16,25,32H,15H2,1-3H3,(H,28,30)
InChIKeyMJJWTVZBBLWQCJ-UHFFFAOYSA-N
XLogP4.60
TPSA90.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]-phenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]-phenylmethanol?
The IUPAC name of [5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]-phenylmethanol (CID 138689651) is [5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]-phenylmethanol.
What is the SMILES notation for [5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]-phenylmethanol?
The canonical SMILES for [5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]-phenylmethanol is COc1ccc(CNc2nc3c(OC)cccc3c3nc(C(O)c4ccccc4)cn23)c(OC)c1.
What is the InChIKey of [5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]-phenylmethanol?
The InChIKey is MJJWTVZBBLWQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-33-19-13-12-18(23(14-19)35-3)15-28-27-30-24-20(10-7-11-22(24)34-2)26-29-21(16-31(26)27)25(32)17-8-5-4-6-9-17/h4-14,16,25,32H,15H2,1-3H3,(H,28,30).
What are the key properties of [5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]-phenylmethanol?
[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]-phenylmethanol has a molecular weight of 470.53 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]-phenylmethanol is sourced from PubChem (CID 138689651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).