N-[(4-benzylmorpholin-2-yl)methyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carboxamide

C31H29N5O3 — CID 16735319

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carboxamide
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)c1ccc2cc3c(cc2n1)CC1(C3)C(=O)Nc2ncccc21
InChIInChI=1S/C31H29N5O3/c37-29(33-17-24-19-36(11-12-39-24)18-20-5-2-1-3-6-20)26-9-8-21-13-22-15-31(16-23(22)14-27(21)34-26)25-7-4-10-32-28(25)35-30(31)38/h1-10,13-14,24H,11-12,15-19H2,(H,33,37)(H,32,35,38)
InChIKeyGDEFCMQKRNOZKH-UHFFFAOYSA-N
MW519.61 g/mol
LogP3.25
Rot. Bonds5

About N-[(4-benzylmorpholin-2-yl)methyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carboxamide

N-[(4-benzylmorpholin-2-yl)methyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carboxamide (PubChem CID 16735319) has the molecular formula C31H29N5O3 and a molecular weight of 519.61 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carboxamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carboxamide
PubChem CID16735319
Molecular FormulaC31H29N5O3
Molecular Weight519.61 g/mol
Exact Mass519.23
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carboxamide
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)c1ccc2cc3c(cc2n1)CC1(C3)C(=O)Nc2ncccc21
InChIInChI=1S/C31H29N5O3/c37-29(33-17-24-19-36(11-12-39-24)18-20-5-2-1-3-6-20)26-9-8-21-13-22-15-31(16-23(22)14-27(21)34-26)25-7-4-10-32-28(25)35-30(31)38/h1-10,13-14,24H,11-12,15-19H2,(H,33,37)(H,32,35,38)
InChIKeyGDEFCMQKRNOZKH-UHFFFAOYSA-N
XLogP3.25
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.61
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4-benzylmorpholin-2-yl)methyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carboxamide with MolForge

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Related Compounds

N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30531255
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide
CID 55731163
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 30531698
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
2-(2-aminoethyl)-N-[(4-benzylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639786
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
N-[(4-benzylmorpholin-2-yl)methyl]-9-oxofluorene-2-carboxamide
CID 42939286
N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
CID 78799093
N-[(4-benzylmorpholin-2-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460681

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carboxamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carboxamide (CID 16735319) is N-[(4-benzylmorpholin-2-yl)methyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carboxamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carboxamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carboxamide is O=C(NCC1CN(Cc2ccccc2)CCO1)c1ccc2cc3c(cc2n1)CC1(C3)C(=O)Nc2ncccc21.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carboxamide?
The InChIKey is GDEFCMQKRNOZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O3/c37-29(33-17-24-19-36(11-12-39-24)18-20-5-2-1-3-6-20)26-9-8-21-13-22-15-31(16-23(22)14-27(21)34-26)25-7-4-10-32-28(25)35-30(31)38/h1-10,13-14,24H,11-12,15-19H2,(H,33,37)(H,32,35,38).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carboxamide?
N-[(4-benzylmorpholin-2-yl)methyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carboxamide has a molecular weight of 519.61 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carboxamide is sourced from PubChem (CID 16735319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).