2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide

C29H33N5O2 — CID 18447622

IUPAC2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide
SMILESNc1ccc2cc(C(=O)NCC3CC(=O)N(c4ccc(C5(CN6CCCC6)CC5)cc4)C3)ccc2n1
InChIInChI=1S/C29H33N5O2/c30-26-10-4-21-16-22(3-9-25(21)32-26)28(36)31-17-20-15-27(35)34(18-20)24-7-5-23(6-8-24)29(11-12-29)19-33-13-1-2-14-33/h3-10,16,20H,1-2,11-15,17-19H2,(H2,30,32)(H,31,36)
InChIKeyQOUJTGURTLXUEG-UHFFFAOYSA-N
MW483.62 g/mol
LogP3.73
Rot. Bonds7

About 2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide

2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide (PubChem CID 18447622) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide
PubChem CID18447622
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC Name2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide
SMILESNc1ccc2cc(C(=O)NCC3CC(=O)N(c4ccc(C5(CN6CCCC6)CC5)cc4)C3)ccc2n1
InChIInChI=1S/C29H33N5O2/c30-26-10-4-21-16-22(3-9-25(21)32-26)28(36)31-17-20-15-27(35)34(18-20)24-7-5-23(6-8-24)29(11-12-29)19-33-13-1-2-14-33/h3-10,16,20H,1-2,11-15,17-19H2,(H2,30,32)(H,31,36)
InChIKeyQOUJTGURTLXUEG-UHFFFAOYSA-N
XLogP3.73
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide with MolForge

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Related Compounds

N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 18448015
3-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]-1,2-benzoxazole-5-carboxamide
CID 18447657
2-amino-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]quinoline-7-carboxamide
CID 18447621
5-chloro-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 18447610
3-(aminomethyl)-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 18447641
N-[[5-oxo-1-[4-(2-pyrrolidin-1-ylpropanoylamino)phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 91031871
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-methyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 40876165
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 40876664
3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918987

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide?
The IUPAC name of 2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide (CID 18447622) is 2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide is Nc1ccc2cc(C(=O)NCC3CC(=O)N(c4ccc(C5(CN6CCCC6)CC5)cc4)C3)ccc2n1.
What is the InChIKey of 2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide?
The InChIKey is QOUJTGURTLXUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c30-26-10-4-21-16-22(3-9-25(21)32-26)28(36)31-17-20-15-27(35)34(18-20)24-7-5-23(6-8-24)29(11-12-29)19-33-13-1-2-14-33/h3-10,16,20H,1-2,11-15,17-19H2,(H2,30,32)(H,31,36).
What are the key properties of 2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide?
2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 18447622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).