(2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

C25H30N2O2 — CID 58732818

IUPAC(2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCCc1ccc(C(=O)N2c3ccccc3[C@H](C(=O)N(CC)C3CC3)C[C@@H]2C)cc1
InChIInChI=1S/C25H30N2O2/c1-4-18-10-12-19(13-11-18)24(28)27-17(3)16-22(21-8-6-7-9-23(21)27)25(29)26(5-2)20-14-15-20/h6-13,17,20,22H,4-5,14-16H2,1-3H3/t17-,22+/m0/s1
InChIKeyVVQKWJUQJVETDC-HTAPYJJXSA-N
MW390.53 g/mol
LogP4.78
Rot. Bonds5

About (2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

(2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (PubChem CID 58732818) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
PubChem CID58732818
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name(2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCCc1ccc(C(=O)N2c3ccccc3[C@H](C(=O)N(CC)C3CC3)C[C@@H]2C)cc1
InChIInChI=1S/C25H30N2O2/c1-4-18-10-12-19(13-11-18)24(28)27-17(3)16-22(21-8-6-7-9-23(21)27)25(29)26(5-2)20-14-15-20/h6-13,17,20,22H,4-5,14-16H2,1-3H3/t17-,22+/m0/s1
InChIKeyVVQKWJUQJVETDC-HTAPYJJXSA-N
XLogP4.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The IUPAC name of (2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (CID 58732818) is (2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.
What is the SMILES notation for (2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The canonical SMILES for (2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is CCc1ccc(C(=O)N2c3ccccc3[C@H](C(=O)N(CC)C3CC3)C[C@@H]2C)cc1.
What is the InChIKey of (2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The InChIKey is VVQKWJUQJVETDC-HTAPYJJXSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-4-18-10-12-19(13-11-18)24(28)27-17(3)16-22(21-8-6-7-9-23(21)27)25(29)26(5-2)20-14-15-20/h6-13,17,20,22H,4-5,14-16H2,1-3H3/t17-,22+/m0/s1.
What are the key properties of (2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
(2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 58732818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).