N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[(3-pyridin-3-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine

C31H26FN5O2 — CID 138689347

IUPACN-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[(3-pyridin-3-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine
SMILESCOc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4cccc(-c5cccnc5)c4)cn23)c(OC)c1
InChIInChI=1S/C31H26FN5O2/c1-38-25-12-11-23(28(16-25)39-2)18-34-31-36-29-26(9-4-10-27(29)32)30-35-24(19-37(30)31)15-20-6-3-7-21(14-20)22-8-5-13-33-17-22/h3-14,16-17,19H,15,18H2,1-2H3,(H,34,36)
InChIKeyXZSOWOOSHHURSI-UHFFFAOYSA-N
MW519.58 g/mol
LogP6.30
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[(3-pyridin-3-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine

N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[(3-pyridin-3-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine (PubChem CID 138689347) has the molecular formula C31H26FN5O2 and a molecular weight of 519.58 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[(3-pyridin-3-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[(3-pyridin-3-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine
PubChem CID138689347
Molecular FormulaC31H26FN5O2
Molecular Weight519.58 g/mol
Exact Mass519.21
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[(3-pyridin-3-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine
SMILESCOc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4cccc(-c5cccnc5)c4)cn23)c(OC)c1
InChIInChI=1S/C31H26FN5O2/c1-38-25-12-11-23(28(16-25)39-2)18-34-31-36-29-26(9-4-10-27(29)32)30-35-24(19-37(30)31)15-20-6-3-7-21(14-20)22-8-5-13-33-17-22/h3-14,16-17,19H,15,18H2,1-2H3,(H,34,36)
InChIKeyXZSOWOOSHHURSI-UHFFFAOYSA-N
XLogP6.30
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.58
LogP ≤ 56.30
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]-7-fluoro-2-[(3-pyridin-3-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[(3-pyridin-3-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine (CID 138689347) is N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[(3-pyridin-3-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[(3-pyridin-3-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[(3-pyridin-3-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine is COc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4cccc(-c5cccnc5)c4)cn23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[(3-pyridin-3-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine?
The InChIKey is XZSOWOOSHHURSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN5O2/c1-38-25-12-11-23(28(16-25)39-2)18-34-31-36-29-26(9-4-10-27(29)32)30-35-24(19-37(30)31)15-20-6-3-7-21(14-20)22-8-5-13-33-17-22/h3-14,16-17,19H,15,18H2,1-2H3,(H,34,36).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[(3-pyridin-3-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine?
N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-[(3-pyridin-3-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine has a molecular weight of 519.58 g/mol, XLogP of 6.30, 8 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]-7-fluoro-2-[(3-pyridin-3-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine is sourced from PubChem (CID 138689347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).