5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-N-(quinolin-8-ylmethyl)imidazo[1,2-c]quinazoline-2-carboxamide

C31H28N6O4 — CID 138689432

IUPAC5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-N-(quinolin-8-ylmethyl)imidazo[1,2-c]quinazoline-2-carboxamide
SMILESCOc1ccc(CNc2nc3c(OC)cccc3c3nc(C(=O)NCc4cccc5cccnc45)cn23)c(OC)c1
InChIInChI=1S/C31H28N6O4/c1-39-22-13-12-20(26(15-22)41-3)16-34-31-36-28-23(10-5-11-25(28)40-2)29-35-24(18-37(29)31)30(38)33-17-21-8-4-7-19-9-6-14-32-27(19)21/h4-15,18H,16-17H2,1-3H3,(H,33,38)(H,34,36)
InChIKeyWMDWWYGQJQLSLC-UHFFFAOYSA-N
MW548.60 g/mol
LogP5.00
Rot. Bonds9

About 5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-N-(quinolin-8-ylmethyl)imidazo[1,2-c]quinazoline-2-carboxamide

5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-N-(quinolin-8-ylmethyl)imidazo[1,2-c]quinazoline-2-carboxamide (PubChem CID 138689432) has the molecular formula C31H28N6O4 and a molecular weight of 548.60 g/mol. Its IUPAC name is 5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-N-(quinolin-8-ylmethyl)imidazo[1,2-c]quinazoline-2-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-N-(quinolin-8-ylmethyl)imidazo[1,2-c]quinazoline-2-carboxamide
PubChem CID138689432
Molecular FormulaC31H28N6O4
Molecular Weight548.60 g/mol
Exact Mass548.22
IUPAC Name5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-N-(quinolin-8-ylmethyl)imidazo[1,2-c]quinazoline-2-carboxamide
SMILESCOc1ccc(CNc2nc3c(OC)cccc3c3nc(C(=O)NCc4cccc5cccnc45)cn23)c(OC)c1
InChIInChI=1S/C31H28N6O4/c1-39-22-13-12-20(26(15-22)41-3)16-34-31-36-28-23(10-5-11-25(28)40-2)29-35-24(18-37(29)31)30(38)33-17-21-8-4-7-19-9-6-14-32-27(19)21/h4-15,18H,16-17H2,1-3H3,(H,33,38)(H,34,36)
InChIKeyWMDWWYGQJQLSLC-UHFFFAOYSA-N
XLogP5.00
TPSA111.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.60
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-N-(quinolin-8-ylmethyl)imidazo[1,2-c]quinazoline-2-carboxamide?
The IUPAC name of 5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-N-(quinolin-8-ylmethyl)imidazo[1,2-c]quinazoline-2-carboxamide (CID 138689432) is 5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-N-(quinolin-8-ylmethyl)imidazo[1,2-c]quinazoline-2-carboxamide.
What is the SMILES notation for 5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-N-(quinolin-8-ylmethyl)imidazo[1,2-c]quinazoline-2-carboxamide?
The canonical SMILES for 5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-N-(quinolin-8-ylmethyl)imidazo[1,2-c]quinazoline-2-carboxamide is COc1ccc(CNc2nc3c(OC)cccc3c3nc(C(=O)NCc4cccc5cccnc45)cn23)c(OC)c1.
What is the InChIKey of 5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-N-(quinolin-8-ylmethyl)imidazo[1,2-c]quinazoline-2-carboxamide?
The InChIKey is WMDWWYGQJQLSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O4/c1-39-22-13-12-20(26(15-22)41-3)16-34-31-36-28-23(10-5-11-25(28)40-2)29-35-24(18-37(29)31)30(38)33-17-21-8-4-7-19-9-6-14-32-27(19)21/h4-15,18H,16-17H2,1-3H3,(H,33,38)(H,34,36).
What are the key properties of 5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-N-(quinolin-8-ylmethyl)imidazo[1,2-c]quinazoline-2-carboxamide?
5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-N-(quinolin-8-ylmethyl)imidazo[1,2-c]quinazoline-2-carboxamide has a molecular weight of 548.60 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-N-(quinolin-8-ylmethyl)imidazo[1,2-c]quinazoline-2-carboxamide is sourced from PubChem (CID 138689432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).