N-[(2S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide

C24H24N4O3 — CID 162763935

IUPACN-[(2S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
SMILESC[C@@H](CN1CC[C@H](O)C1)NC(=O)c1cccn2c(=O)c3ccc4ccccc4c3nc12
InChIInChI=1S/C24H24N4O3/c1-15(13-27-12-10-17(29)14-27)25-23(30)20-7-4-11-28-22(20)26-21-18-6-3-2-5-16(18)8-9-19(21)24(28)31/h2-9,11,15,17,29H,10,12-14H2,1H3,(H,25,30)/t15-,17-/m0/s1
InChIKeyCHXMOIOKJSWOEI-RDJZCZTQSA-N
MW416.48 g/mol
LogP2.19
Rot. Bonds4

About N-[(2S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide

N-[(2S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide (PubChem CID 162763935) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[(2S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
PubChem CID162763935
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[(2S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
SMILESC[C@@H](CN1CC[C@H](O)C1)NC(=O)c1cccn2c(=O)c3ccc4ccccc4c3nc12
InChIInChI=1S/C24H24N4O3/c1-15(13-27-12-10-17(29)14-27)25-23(30)20-7-4-11-28-22(20)26-21-18-6-3-2-5-16(18)8-9-19(21)24(28)31/h2-9,11,15,17,29H,10,12-14H2,1H3,(H,25,30)/t15-,17-/m0/s1
InChIKeyCHXMOIOKJSWOEI-RDJZCZTQSA-N
XLogP2.19
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[(2S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
CID 169029714
N-[(2S)-2-(dimethylamino)propyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
CID 162763962
11-oxo-N-[2-(4-oxopiperidin-1-yl)ethyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
CID 162763945
N-(2-aminoethyl)-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
CID 162763934
N-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
CID 162763951
16-[1-(2-pyrrolidin-1-ylethylamino)ethenyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaen-11-one
CID 162763933
N-(3-methylbutyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
CID 3508057
4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide
CID 162763930
2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
CID 47379683
3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide
CID 5018182
N-[[6-(hydroxymethyl)piperidin-2-yl]methyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
CID 162763993
N-[[6-(hydroxymethyl)piperidin-2-yl]methyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide;hydrochloride
CID 169029700

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide?
The IUPAC name of N-[(2S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide (CID 162763935) is N-[(2S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide?
The canonical SMILES for N-[(2S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide is C[C@@H](CN1CC[C@H](O)C1)NC(=O)c1cccn2c(=O)c3ccc4ccccc4c3nc12.
What is the InChIKey of N-[(2S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide?
The InChIKey is CHXMOIOKJSWOEI-RDJZCZTQSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15(13-27-12-10-17(29)14-27)25-23(30)20-7-4-11-28-22(20)26-21-18-6-3-2-5-16(18)8-9-19(21)24(28)31/h2-9,11,15,17,29H,10,12-14H2,1H3,(H,25,30)/t15-,17-/m0/s1.
What are the key properties of N-[(2S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide?
N-[(2S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide is sourced from PubChem (CID 162763935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).