1-[3-[[6,7-dimethoxy-4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]propyl]pyrrolidin-2-one

C23H34N6O4 — CID 117090671

IUPAC1-[3-[[6,7-dimethoxy-4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]propyl]pyrrolidin-2-one
SMILESCOc1cc2nc(NCCCN3CCCC3=O)nc(NCCN3CCOCC3)c2cc1OC
InChIInChI=1S/C23H34N6O4/c1-31-19-15-17-18(16-20(19)32-2)26-23(25-6-4-9-29-8-3-5-21(29)30)27-22(17)24-7-10-28-11-13-33-14-12-28/h15-16H,3-14H2,1-2H3,(H2,24,25,26,27)
InChIKeyFYYUHODQXQWODO-UHFFFAOYSA-N
MW458.56 g/mol
LogP1.82
Rot. Bonds11

About 1-[3-[[6,7-dimethoxy-4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]propyl]pyrrolidin-2-one

1-[3-[[6,7-dimethoxy-4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 117090671) has the molecular formula C23H34N6O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-[3-[[6,7-dimethoxy-4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[6,7-dimethoxy-4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]propyl]pyrrolidin-2-one
PubChem CID117090671
Molecular FormulaC23H34N6O4
Molecular Weight458.56 g/mol
Exact Mass458.26
IUPAC Name1-[3-[[6,7-dimethoxy-4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]propyl]pyrrolidin-2-one
SMILESCOc1cc2nc(NCCCN3CCCC3=O)nc(NCCN3CCOCC3)c2cc1OC
InChIInChI=1S/C23H34N6O4/c1-31-19-15-17-18(16-20(19)32-2)26-23(25-6-4-9-29-8-3-5-21(29)30)27-22(17)24-7-10-28-11-13-33-14-12-28/h15-16H,3-14H2,1-2H3,(H2,24,25,26,27)
InChIKeyFYYUHODQXQWODO-UHFFFAOYSA-N
XLogP1.82
TPSA101.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 117090622
6,7-dimethoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171350702
1-[3-[[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117090981
1-[3-[[2-(3,4,5-trimethoxyanilino)-7H-purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117080908
6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003457
1-[3-[[6-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117080518
2,3-dihydroxybutanedioic acid;6,7-dimethoxy-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 25128005
N-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide
CID 117090394
6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171352054
1-[3-[[2-(2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]piperidin-2-one
CID 174335076
4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 143380800
2-(3,3-difluoroazetidin-1-yl)-6,7-dimethoxy-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine
CID 122191700

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6,7-dimethoxy-4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[6,7-dimethoxy-4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]propyl]pyrrolidin-2-one (CID 117090671) is 1-[3-[[6,7-dimethoxy-4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[6,7-dimethoxy-4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[6,7-dimethoxy-4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]propyl]pyrrolidin-2-one is COc1cc2nc(NCCCN3CCCC3=O)nc(NCCN3CCOCC3)c2cc1OC.
What is the InChIKey of 1-[3-[[6,7-dimethoxy-4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is FYYUHODQXQWODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O4/c1-31-19-15-17-18(16-20(19)32-2)26-23(25-6-4-9-29-8-3-5-21(29)30)27-22(17)24-7-10-28-11-13-33-14-12-28/h15-16H,3-14H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 1-[3-[[6,7-dimethoxy-4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[[6,7-dimethoxy-4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 458.56 g/mol, XLogP of 1.82, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6,7-dimethoxy-4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 117090671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).