N-(1-hydroxypropan-2-yl)-4,5,7-trimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide

C21H27N3O2 — CID 144653620

IUPACN-(1-hydroxypropan-2-yl)-4,5,7-trimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCc1c2c3c(cccc3n1C)C1=CC(C(=O)NC(C)CO)CN(C)C1C2
InChIInChI=1S/C21H27N3O2/c1-12(11-25)22-21(26)14-8-17-15-6-5-7-18-20(15)16(13(2)24(18)4)9-19(17)23(3)10-14/h5-8,12,14,19,25H,9-11H2,1-4H3,(H,22,26)
InChIKeyNIRXNAKTRJCGHN-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.85
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-4,5,7-trimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide

N-(1-hydroxypropan-2-yl)-4,5,7-trimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 144653620) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-4,5,7-trimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-4,5,7-trimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
PubChem CID144653620
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(1-hydroxypropan-2-yl)-4,5,7-trimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCc1c2c3c(cccc3n1C)C1=CC(C(=O)NC(C)CO)CN(C)C1C2
InChIInChI=1S/C21H27N3O2/c1-12(11-25)22-21(26)14-8-17-15-6-5-7-18-20(15)16(13(2)24(18)4)9-19(17)23(3)10-14/h5-8,12,14,19,25H,9-11H2,1-4H3,(H,22,26)
InChIKeyNIRXNAKTRJCGHN-UHFFFAOYSA-N
XLogP1.85
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-4,5,7-trimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-4,5,7-trimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide (CID 144653620) is N-(1-hydroxypropan-2-yl)-4,5,7-trimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-4,5,7-trimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-4,5,7-trimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide is Cc1c2c3c(cccc3n1C)C1=CC(C(=O)NC(C)CO)CN(C)C1C2.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-4,5,7-trimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is NIRXNAKTRJCGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-12(11-25)22-21(26)14-8-17-15-6-5-7-18-20(15)16(13(2)24(18)4)9-19(17)23(3)10-14/h5-8,12,14,19,25H,9-11H2,1-4H3,(H,22,26).
What are the key properties of N-(1-hydroxypropan-2-yl)-4,5,7-trimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
N-(1-hydroxypropan-2-yl)-4,5,7-trimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-4,5,7-trimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 144653620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).