3-[(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide

C27H39N3O2 — CID 67674802

IUPAC3-[(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide
SMILESCN1C(=O)CC[C@@]2(C)C1CC[C@H]1[C@@H]3CC[C@H](CCC(=O)Nc4ccncc4)[C@@]3(C)CC[C@@H]12
InChIInChI=1S/C27H39N3O2/c1-26-14-10-22-20(6-8-23-27(22,2)15-11-25(32)30(23)3)21(26)7-4-18(26)5-9-24(31)29-19-12-16-28-17-13-19/h12-13,16-18,20-23H,4-11,14-15H2,1-3H3,(H,28,29,31)/t18-,20+,21+,22+,23?,26-,27-/m1/s1
InChIKeyHSGXDRYJFQIKSL-DBVAMWLLSA-N
MW437.63 g/mol
LogP5.28
Rot. Bonds4

About 3-[(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide

3-[(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide (PubChem CID 67674802) has the molecular formula C27H39N3O2 and a molecular weight of 437.63 g/mol. Its IUPAC name is 3-[(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-[(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide
PubChem CID67674802
Molecular FormulaC27H39N3O2
Molecular Weight437.63 g/mol
Exact Mass437.30
IUPAC Name3-[(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide
SMILESCN1C(=O)CC[C@@]2(C)C1CC[C@H]1[C@@H]3CC[C@H](CCC(=O)Nc4ccncc4)[C@@]3(C)CC[C@@H]12
InChIInChI=1S/C27H39N3O2/c1-26-14-10-22-20(6-8-23-27(22,2)15-11-25(32)30(23)3)21(26)7-4-18(26)5-9-24(31)29-19-12-16-28-17-13-19/h12-13,16-18,20-23H,4-11,14-15H2,1-3H3,(H,28,29,31)/t18-,20+,21+,22+,23?,26-,27-/m1/s1
InChIKeyHSGXDRYJFQIKSL-DBVAMWLLSA-N
XLogP5.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.63
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide with MolForge

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Related Compounds

3-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide
CID 57199183
3-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-2-ylpropanamide
CID 57241253
(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-1-(3-oxo-3-phenylpropyl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 67675438
7-[(3aS,3bS,9aR,9bR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-thiophen-2-ylheptanamide
CID 67675427
1-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-3-phenylurea
CID 22871992
(3aS,3bS,9aR,9bR,11aS)-N-(4-fluorophenyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 69356109
phenyl 10-[(1S,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]decanoate
CID 67674774
1-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-3-naphthalen-2-ylurea
CID 22871991
(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-1-(2-oxo-2-thiophen-2-ylethyl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 67676435
N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-12-hydroxydodecanamide
CID 67614417
N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]thiophene-2-carboxamide
CID 67602239
(3aS,3bS,9aR,9bR,11aR)-6,9a,11a-trimethyl-1-(thiophen-2-ylmethyl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 91094405

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-[(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide (CID 67674802) is 3-[(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-[(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-[(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide is CN1C(=O)CC[C@@]2(C)C1CC[C@H]1[C@@H]3CC[C@H](CCC(=O)Nc4ccncc4)[C@@]3(C)CC[C@@H]12.
What is the InChIKey of 3-[(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide?
The InChIKey is HSGXDRYJFQIKSL-DBVAMWLLSA-N. The full InChI is InChI=1S/C27H39N3O2/c1-26-14-10-22-20(6-8-23-27(22,2)15-11-25(32)30(23)3)21(26)7-4-18(26)5-9-24(31)29-19-12-16-28-17-13-19/h12-13,16-18,20-23H,4-11,14-15H2,1-3H3,(H,28,29,31)/t18-,20+,21+,22+,23?,26-,27-/m1/s1.
What are the key properties of 3-[(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide?
3-[(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide has a molecular weight of 437.63 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 67674802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).