4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one

C23H22N4O2 — CID 42646445

IUPAC4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one
SMILESCOc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NC2(CNC2)C3)cc1
InChIInChI=1S/C23H22N4O2/c1-29-15-5-2-13(3-6-15)18-8-17-14(10-25-18)4-7-16-20-19(26-21(16)17)9-23(11-24-12-23)27-22(20)28/h2-3,5-6,8,10,24,26H,4,7,9,11-12H2,1H3,(H,27,28)
InChIKeyPHUWYUDQWSFJAL-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.48
Rot. Bonds2

About 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one

4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one (PubChem CID 42646445) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one
PubChem CID42646445
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one
SMILESCOc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NC2(CNC2)C3)cc1
InChIInChI=1S/C23H22N4O2/c1-29-15-5-2-13(3-6-15)18-8-17-14(10-25-18)4-7-16-20-19(26-21(16)17)9-23(11-24-12-23)27-22(20)28/h2-3,5-6,8,10,24,26H,4,7,9,11-12H2,1H3,(H,27,28)
InChIKeyPHUWYUDQWSFJAL-UHFFFAOYSA-N
XLogP2.48
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one with MolForge

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Related Compounds

Pyrrolopyridine, 29
CID 16720207
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[7-(4-methoxyphenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280226
1-(1H-Indol-3-ylcarbonyl)-N-(4-methoxybenzyl)formamide
CID 1588018
6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide
CID 18436125
2-(4-Methoxy-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 24809726
5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060384
2-(4-Methoxyphenyl)-9,10,11,12-tetrahydro-8H-3,8,12-triaza-naphtho[2,1-a]azulen-7-one
CID 25064527
2-(4-Methoxy-phenyl)-9,10-dihydro-8H-3,8,10-triaza-pentaleno[2,1-a]naphthalen-7-one
CID 25064951
2-(3-Fluoro-4-methoxy-phenyl)-8,9,10,11-tetrahydro-3,8,11-triaza-benzo[a]fluoren-7-one
CID 25066617
4-(4-Methoxyphenyl)-1'-methylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
CID 42646706
4-(4-Methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one
CID 56666414
4-(4-Methoxyphenyl)-14-methyl-5,13,14,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one
CID 56669835

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one?
The IUPAC name of 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one (CID 42646445) is 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one.
What is the SMILES notation for 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one?
The canonical SMILES for 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one is COc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NC2(CNC2)C3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one?
The InChIKey is PHUWYUDQWSFJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-29-15-5-2-13(3-6-15)18-8-17-14(10-25-18)4-7-16-20-19(26-21(16)17)9-23(11-24-12-23)27-22(20)28/h2-3,5-6,8,10,24,26H,4,7,9,11-12H2,1H3,(H,27,28).
What are the key properties of 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one?
4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one has a molecular weight of 386.46 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one is sourced from PubChem (CID 42646445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).