(9aR,10S)-10-(4-methylphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione

C23H19NO2 — CID 7335044

IUPAC(9aR,10S)-10-(4-methylphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESCc1ccc([C@H]2C3=C(N=C4CCCC(=O)[C@@H]42)c2ccccc2C3=O)cc1
InChIInChI=1S/C23H19NO2/c1-13-9-11-14(12-10-13)19-20-17(7-4-8-18(20)25)24-22-15-5-2-3-6-16(15)23(26)21(19)22/h2-3,5-6,9-12,19-20H,4,7-8H2,1H3/t19-,20-/m1/s1
InChIKeyMHXZXAIYRANHKC-WOJBJXKFSA-N
MW341.41 g/mol
LogP4.51
Rot. Bonds1

About (9aR,10S)-10-(4-methylphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione

(9aR,10S)-10-(4-methylphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 7335044) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is (9aR,10S)-10-(4-methylphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name(9aR,10S)-10-(4-methylphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID7335044
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name(9aR,10S)-10-(4-methylphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESCc1ccc([C@H]2C3=C(N=C4CCCC(=O)[C@@H]42)c2ccccc2C3=O)cc1
InChIInChI=1S/C23H19NO2/c1-13-9-11-14(12-10-13)19-20-17(7-4-8-18(20)25)24-22-15-5-2-3-6-16(15)23(26)21(19)22/h2-3,5-6,9-12,19-20H,4,7-8H2,1H3/t19-,20-/m1/s1
InChIKeyMHXZXAIYRANHKC-WOJBJXKFSA-N
XLogP4.51
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9aR,10S)-10-(4-methylphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of (9aR,10S)-10-(4-methylphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (CID 7335044) is (9aR,10S)-10-(4-methylphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for (9aR,10S)-10-(4-methylphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for (9aR,10S)-10-(4-methylphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is Cc1ccc([C@H]2C3=C(N=C4CCCC(=O)[C@@H]42)c2ccccc2C3=O)cc1.
What is the InChIKey of (9aR,10S)-10-(4-methylphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is MHXZXAIYRANHKC-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H19NO2/c1-13-9-11-14(12-10-13)19-20-17(7-4-8-18(20)25)24-22-15-5-2-3-6-16(15)23(26)21(19)22/h2-3,5-6,9-12,19-20H,4,7-8H2,1H3/t19-,20-/m1/s1.
What are the key properties of (9aR,10S)-10-(4-methylphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
(9aR,10S)-10-(4-methylphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione has a molecular weight of 341.41 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR,10S)-10-(4-methylphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 7335044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).