2-amino-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]quinoline-7-carboxamide

C28H32N6O3 — CID 18447621

IUPAC2-amino-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]quinoline-7-carboxamide
SMILESCN(C(=O)CN1CCCC1)c1ccc(N2CC(CNC(=O)c3ccc4ccc(N)nc4c3)CC2=O)cc1
InChIInChI=1S/C28H32N6O3/c1-32(27(36)18-33-12-2-3-13-33)22-7-9-23(10-8-22)34-17-19(14-26(34)35)16-30-28(37)21-5-4-20-6-11-25(29)31-24(20)15-21/h4-11,15,19H,2-3,12-14,16-18H2,1H3,(H2,29,31)(H,30,37)
InChIKeyHGFQJQYMNBJQTG-UHFFFAOYSA-N
MW500.60 g/mol
LogP2.66
Rot. Bonds7

About 2-amino-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]quinoline-7-carboxamide

2-amino-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]quinoline-7-carboxamide (PubChem CID 18447621) has the molecular formula C28H32N6O3 and a molecular weight of 500.60 g/mol. Its IUPAC name is 2-amino-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]quinoline-7-carboxamide
PubChem CID18447621
Molecular FormulaC28H32N6O3
Molecular Weight500.60 g/mol
Exact Mass500.25
IUPAC Name2-amino-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]quinoline-7-carboxamide
SMILESCN(C(=O)CN1CCCC1)c1ccc(N2CC(CNC(=O)c3ccc4ccc(N)nc4c3)CC2=O)cc1
InChIInChI=1S/C28H32N6O3/c1-32(27(36)18-33-12-2-3-13-33)22-7-9-23(10-8-22)34-17-19(14-26(34)35)16-30-28(37)21-5-4-20-6-11-25(29)31-24(20)15-21/h4-11,15,19H,2-3,12-14,16-18H2,1H3,(H2,29,31)(H,30,37)
InChIKeyHGFQJQYMNBJQTG-UHFFFAOYSA-N
XLogP2.66
TPSA111.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(aminomethyl)-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 18447641
2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide
CID 18447622
N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]-5-phenylthiophene-2-carboxamide
CID 18448004
N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 18448015
6-chloro-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]-2,7a-dihydro-1H-indole-2-carboxamide
CID 18447776
N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 91031871
3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918987
4-ethoxy-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918523
4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide
CID 11225164
6-amino-N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 91159866
4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
CID 11177781
3-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]-1,2-benzoxazole-5-carboxamide
CID 18447657

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]quinoline-7-carboxamide?
The IUPAC name of 2-amino-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]quinoline-7-carboxamide (CID 18447621) is 2-amino-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]quinoline-7-carboxamide.
What is the SMILES notation for 2-amino-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]quinoline-7-carboxamide?
The canonical SMILES for 2-amino-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]quinoline-7-carboxamide is CN(C(=O)CN1CCCC1)c1ccc(N2CC(CNC(=O)c3ccc4ccc(N)nc4c3)CC2=O)cc1.
What is the InChIKey of 2-amino-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]quinoline-7-carboxamide?
The InChIKey is HGFQJQYMNBJQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O3/c1-32(27(36)18-33-12-2-3-13-33)22-7-9-23(10-8-22)34-17-19(14-26(34)35)16-30-28(37)21-5-4-20-6-11-25(29)31-24(20)15-21/h4-11,15,19H,2-3,12-14,16-18H2,1H3,(H2,29,31)(H,30,37).
What are the key properties of 2-amino-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]quinoline-7-carboxamide?
2-amino-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]quinoline-7-carboxamide has a molecular weight of 500.60 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]quinoline-7-carboxamide is sourced from PubChem (CID 18447621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).