2-amino-1-(2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

C27H25N5O4 — CID 23877092

IUPAC2-amino-1-(2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOc1ccc(-n2c(N)c(C(=O)NCc3ccccc3OC)c3nc4ccccc4nc32)c(OC)c1
InChIInChI=1S/C27H25N5O4/c1-34-17-12-13-20(22(14-17)36-3)32-25(28)23(24-26(32)31-19-10-6-5-9-18(19)30-24)27(33)29-15-16-8-4-7-11-21(16)35-2/h4-14H,15,28H2,1-3H3,(H,29,33)
InChIKeyCLVFJUMLUBXPNB-UHFFFAOYSA-N
MW483.53 g/mol
LogP4.11
Rot. Bonds7

About 2-amino-1-(2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-1-(2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 23877092) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 2-amino-1-(2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID23877092
Molecular FormulaC27H25N5O4
Molecular Weight483.53 g/mol
Exact Mass483.19
IUPAC Name2-amino-1-(2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOc1ccc(-n2c(N)c(C(=O)NCc3ccccc3OC)c3nc4ccccc4nc32)c(OC)c1
InChIInChI=1S/C27H25N5O4/c1-34-17-12-13-20(22(14-17)36-3)32-25(28)23(24-26(32)31-19-10-6-5-9-18(19)30-24)27(33)29-15-16-8-4-7-11-21(16)35-2/h4-14H,15,28H2,1-3H3,(H,29,33)
InChIKeyCLVFJUMLUBXPNB-UHFFFAOYSA-N
XLogP4.11
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-1-(2-methoxy-5-nitrophenyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 1423583
2-amino-1-[(2-methoxyphenyl)methyl]-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2003032
2-amino-1-(3-butoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3436686
2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2426783
ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987507
6-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370328
2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 16955044
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
N-[(2-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370274
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190229
2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 745688
6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide
CID 22434613

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-(2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 23877092) is 2-amino-1-(2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-(2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-(2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is COc1ccc(-n2c(N)c(C(=O)NCc3ccccc3OC)c3nc4ccccc4nc32)c(OC)c1.
What is the InChIKey of 2-amino-1-(2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is CLVFJUMLUBXPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4/c1-34-17-12-13-20(22(14-17)36-3)32-25(28)23(24-26(32)31-19-10-6-5-9-18(19)30-24)27(33)29-15-16-8-4-7-11-21(16)35-2/h4-14H,15,28H2,1-3H3,(H,29,33).
What are the key properties of 2-amino-1-(2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-(2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 23877092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).