4-hydroxy-3-propyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

C18H15NO2 — CID 54705810

IUPAC4-hydroxy-3-propyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
SMILESCCCc1c(O)c2cccc3c4ccccc4n(c1=O)c23
InChIInChI=1S/C18H15NO2/c1-2-6-14-17(20)13-9-5-8-12-11-7-3-4-10-15(11)19(16(12)13)18(14)21/h3-5,7-10,20H,2,6H2,1H3
InChIKeyNMPBZWVXRNEOGQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.70
Rot. Bonds2

About 4-hydroxy-3-propyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

4-hydroxy-3-propyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one (PubChem CID 54705810) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-hydroxy-3-propyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-propyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
PubChem CID54705810
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name4-hydroxy-3-propyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
SMILESCCCc1c(O)c2cccc3c4ccccc4n(c1=O)c23
InChIInChI=1S/C18H15NO2/c1-2-6-14-17(20)13-9-5-8-12-11-7-3-4-10-15(11)19(16(12)13)18(14)21/h3-5,7-10,20H,2,6H2,1H3
InChIKeyNMPBZWVXRNEOGQ-UHFFFAOYSA-N
XLogP3.70
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-3-propyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one with MolForge

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Related Compounds

4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
CID 54693055
4-hydroxy-1,3-dipropylquinolin-2-one
CID 54703043
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613
4-(benzylamino)-3-ethyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
CID 2793703
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
N-ethyl-4-hydroxy-2-oxo-1-propoxyquinoline-3-carboxamide
CID 134233784
2,20-diazaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(30),3(16),4,6,8,10,12,14,17,21,23,25,27(31),28-tetradecaen-19-one
CID 146639154
3-butoxy-4-hydroxy-1-methylquinolin-2-one
CID 140995416
pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
CID 54704266
1-ethyl-9-methylcarbazole
CID 21455608
3-ethyl-4-hydroxy-1-phenylquinolin-2-one
CID 54677985
4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140979748

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-propyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one?
The IUPAC name of 4-hydroxy-3-propyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one (CID 54705810) is 4-hydroxy-3-propyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one.
What is the SMILES notation for 4-hydroxy-3-propyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one?
The canonical SMILES for 4-hydroxy-3-propyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one is CCCc1c(O)c2cccc3c4ccccc4n(c1=O)c23.
What is the InChIKey of 4-hydroxy-3-propyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one?
The InChIKey is NMPBZWVXRNEOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-2-6-14-17(20)13-9-5-8-12-11-7-3-4-10-15(11)19(16(12)13)18(14)21/h3-5,7-10,20H,2,6H2,1H3.
What are the key properties of 4-hydroxy-3-propyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one?
4-hydroxy-3-propyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one has a molecular weight of 277.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-propyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one is sourced from PubChem (CID 54705810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).