N'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide

C18H24N4O — CID 57020678

IUPACN'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide
SMILESCC(=O)NNCC1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
InChIInChI=1S/C18H24N4O/c1-11(23)21-20-8-12-6-15-14-4-3-5-16-18(14)13(9-19-16)7-17(15)22(2)10-12/h3-5,9,12,15,17,19-20H,6-8,10H2,1-2H3,(H,21,23)/t12?,15-,17-/m1/s1
InChIKeySXSBORPBHTXDGA-VUOSCMKMSA-N
MW312.42 g/mol
LogP1.77
Rot. Bonds3

About N'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide

N'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide (PubChem CID 57020678) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide.

Molecular Properties

Compound NameN'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide
PubChem CID57020678
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide
SMILESCC(=O)NNCC1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
InChIInChI=1S/C18H24N4O/c1-11(23)21-20-8-12-6-15-14-4-3-5-16-18(14)13(9-19-16)7-17(15)22(2)10-12/h3-5,9,12,15,17,19-20H,6-8,10H2,1-2H3,(H,21,23)/t12?,15-,17-/m1/s1
InChIKeySXSBORPBHTXDGA-VUOSCMKMSA-N
XLogP1.77
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide?
The IUPAC name of N'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide (CID 57020678) is N'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide.
What is the SMILES notation for N'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide?
The canonical SMILES for N'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide is CC(=O)NNCC1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.
What is the InChIKey of N'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide?
The InChIKey is SXSBORPBHTXDGA-VUOSCMKMSA-N. The full InChI is InChI=1S/C18H24N4O/c1-11(23)21-20-8-12-6-15-14-4-3-5-16-18(14)13(9-19-16)7-17(15)22(2)10-12/h3-5,9,12,15,17,19-20H,6-8,10H2,1-2H3,(H,21,23)/t12?,15-,17-/m1/s1.
What are the key properties of N'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide?
N'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide has a molecular weight of 312.42 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide is sourced from PubChem (CID 57020678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).