N-(5-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-(hydroxymethyl)butanamide

C23H29N3O2 — CID 122416721

IUPACN-(5-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-(hydroxymethyl)butanamide
SMILESCCC(CO)C(=O)NC1C=C2c3cccc4[nH]c(C5CC5)c(c34)CC2N(C)C1
InChIInChI=1S/C23H29N3O2/c1-3-13(12-27)23(28)24-15-9-17-16-5-4-6-19-21(16)18(10-20(17)26(2)11-15)22(25-19)14-7-8-14/h4-6,9,13-15,20,25,27H,3,7-8,10-12H2,1-2H3,(H,24,28)
InChIKeyPAACVINPOBOLHI-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.80
Rot. Bonds5

About N-(5-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-(hydroxymethyl)butanamide

N-(5-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-(hydroxymethyl)butanamide (PubChem CID 122416721) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(5-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-(hydroxymethyl)butanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-(hydroxymethyl)butanamide
PubChem CID122416721
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-(5-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-(hydroxymethyl)butanamide
SMILESCCC(CO)C(=O)NC1C=C2c3cccc4[nH]c(C5CC5)c(c34)CC2N(C)C1
InChIInChI=1S/C23H29N3O2/c1-3-13(12-27)23(28)24-15-9-17-16-5-4-6-19-21(16)18(10-20(17)26(2)11-15)22(25-19)14-7-8-14/h4-6,9,13-15,20,25,27H,3,7-8,10-12H2,1-2H3,(H,24,28)
InChIKeyPAACVINPOBOLHI-UHFFFAOYSA-N
XLogP2.80
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(5-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-(hydroxymethyl)butanamide with MolForge

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Related Compounds

N-[(6aR)-7-methyl-5-(trifluoromethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-(hydroxymethyl)butanamide
CID 129212300
N-[(6aR)-7-methyl-5-(trifluoromethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-3-hydroxy-2-methylpropanamide
CID 129212301
N-[(6aR)-7-methyl-5-(trifluoromethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide
CID 129213359
N-[(6aR,9S)-5-chloro-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide
CID 70406383
methyl (6aR,9S)-9-(diethylcarbamoylamino)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-5-carboxylate
CID 70395871
CID 172577975
CID 172577975
(6aR,9R)-5-fluoro-7-methyl-N-pentan-3-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 166091912
CID 167513644
CID 167513644
1-[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-3-ethylurea
CID 118989318
(6aR,9R)-5-bromo-N-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 67943696
1,1-diethyl-3-[(9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]urea
CID 12917881
3-[(6aR,9S)-7-cyano-5-(methylsulfanylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 15067664

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-(hydroxymethyl)butanamide?
The IUPAC name of N-(5-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-(hydroxymethyl)butanamide (CID 122416721) is N-(5-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-(hydroxymethyl)butanamide.
What is the SMILES notation for N-(5-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-(hydroxymethyl)butanamide?
The canonical SMILES for N-(5-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-(hydroxymethyl)butanamide is CCC(CO)C(=O)NC1C=C2c3cccc4[nH]c(C5CC5)c(c34)CC2N(C)C1.
What is the InChIKey of N-(5-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-(hydroxymethyl)butanamide?
The InChIKey is PAACVINPOBOLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-13(12-27)23(28)24-15-9-17-16-5-4-6-19-21(16)18(10-20(17)26(2)11-15)22(25-19)14-7-8-14/h4-6,9,13-15,20,25,27H,3,7-8,10-12H2,1-2H3,(H,24,28).
What are the key properties of N-(5-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-(hydroxymethyl)butanamide?
N-(5-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-(hydroxymethyl)butanamide has a molecular weight of 379.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-(hydroxymethyl)butanamide is sourced from PubChem (CID 122416721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).