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

C22H22N4O2 — CID 162763962

IUPACN-[(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
SMILESC[C@@H](CNC(=O)c1cccn2c(=O)c3ccc4ccccc4c3nc12)N(C)C
InChIInChI=1S/C22H22N4O2/c1-14(25(2)3)13-23-21(27)18-9-6-12-26-20(18)24-19-16-8-5-4-7-15(16)10-11-17(19)22(26)28/h4-12,14H,13H2,1-3H3,(H,23,27)/t14-/m0/s1
InChIKeyZVEOKFSSHINCCD-AWEZNQCLSA-N
MW374.44 g/mol
LogP2.68
Rot. Bonds4

About 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

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 (PubChem CID 162763962) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID162763962
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[(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
SMILESC[C@@H](CNC(=O)c1cccn2c(=O)c3ccc4ccccc4c3nc12)N(C)C
InChIInChI=1S/C22H22N4O2/c1-14(25(2)3)13-23-21(27)18-9-6-12-26-20(18)24-19-16-8-5-4-7-15(16)10-11-17(19)22(26)28/h4-12,14H,13H2,1-3H3,(H,23,27)/t14-/m0/s1
InChIKeyZVEOKFSSHINCCD-AWEZNQCLSA-N
XLogP2.68
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-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 with MolForge

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Related Compounds

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
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-[(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
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-[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
N-(3-methylbutyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
CID 3508057
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
2-fluoro-11-oxo-N-[(2S)-2-phenylpropyl]pyrido[2,1-b]quinazoline-6-carboxamide
CID 94091838
N-[2-(dimethylamino)propyl]-2-hydrazinylbenzamide
CID 62248398
4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide
CID 162763930
N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 46857811
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H](CNC(=O)c1cccn2c(=O)c3ccc4ccccc4c3nc12)N(C)C.
What is the InChIKey of 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?
The InChIKey is ZVEOKFSSHINCCD-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14(25(2)3)13-23-21(27)18-9-6-12-26-20(18)24-19-16-8-5-4-7-15(16)10-11-17(19)22(26)28/h4-12,14H,13H2,1-3H3,(H,23,27)/t14-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 374.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162763962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).