N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C35H43N9O3 — CID 90258273

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-[2-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCCN1CCN(c2ccnc3c2CCN(CCc2nc4c5cccc(OC)c5nc(NCc5ccc(OC)cc5OC)n4n2)C3)CC1
InChIInChI=1S/C35H43N9O3/c1-5-41-17-19-43(20-18-41)29-11-14-36-28-23-42(15-12-26(28)29)16-13-32-38-34-27-7-6-8-30(46-3)33(27)39-35(44(34)40-32)37-22-24-9-10-25(45-2)21-31(24)47-4/h6-11,14,21H,5,12-13,15-20,22-23H2,1-4H3,(H,37,39)
InChIKeyFFNIGVGTZKXYHV-UHFFFAOYSA-N
MW637.79 g/mol
LogP4.05
Rot. Bonds11

About N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 90258273) has the molecular formula C35H43N9O3 and a molecular weight of 637.79 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-[2-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID90258273
Molecular FormulaC35H43N9O3
Molecular Weight637.79 g/mol
Exact Mass637.35
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-[2-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCCN1CCN(c2ccnc3c2CCN(CCc2nc4c5cccc(OC)c5nc(NCc5ccc(OC)cc5OC)n4n2)C3)CC1
InChIInChI=1S/C35H43N9O3/c1-5-41-17-19-43(20-18-41)29-11-14-36-28-23-42(15-12-26(28)29)16-13-32-38-34-27-7-6-8-30(46-3)33(27)39-35(44(34)40-32)37-22-24-9-10-25(45-2)21-31(24)47-4/h6-11,14,21H,5,12-13,15-20,22-23H2,1-4H3,(H,37,39)
InChIKeyFFNIGVGTZKXYHV-UHFFFAOYSA-N
XLogP4.05
TPSA105.41 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 90258273) is N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is CCN1CCN(c2ccnc3c2CCN(CCc2nc4c5cccc(OC)c5nc(NCc5ccc(OC)cc5OC)n4n2)C3)CC1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is FFNIGVGTZKXYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N9O3/c1-5-41-17-19-43(20-18-41)29-11-14-36-28-23-42(15-12-26(28)29)16-13-32-38-34-27-7-6-8-30(46-3)33(27)39-35(44(34)40-32)37-22-24-9-10-25(45-2)21-31(24)47-4/h6-11,14,21H,5,12-13,15-20,22-23H2,1-4H3,(H,37,39).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 637.79 g/mol, XLogP of 4.05, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 90258273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).