acetaldehyde;5-amino-2-chlorophenol;(2R)-2-cyclopropyl-1,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide

C23H30ClN3O3 — CID 144701399

IUPACacetaldehyde;5-amino-2-chlorophenol;(2R)-2-cyclopropyl-1,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC1Cc2cc(C(N)=O)ccc2N(C)[C@H]1C1CC1.CC=O.Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C15H20N2O.C6H6ClNO.C2H4O/c1-9-7-12-8-11(15(16)18)5-6-13(12)17(2)14(9)10-3-4-10;7-5-2-1-4(8)3-6(5)9;1-2-3/h5-6,8-10,14H,3-4,7H2,1-2H3,(H2,16,18);1-3,9H,8H2;2H,1H3/t9?,14-;;/m1../s1
InChIKeyFIZLWKOSLIJCPR-IHFNBVMCSA-N
MW431.96 g/mol
LogP4.03
Rot. Bonds2

About acetaldehyde;5-amino-2-chlorophenol;(2R)-2-cyclopropyl-1,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide

acetaldehyde;5-amino-2-chlorophenol;(2R)-2-cyclopropyl-1,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 144701399) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is acetaldehyde;5-amino-2-chlorophenol;(2R)-2-cyclopropyl-1,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Nameacetaldehyde;5-amino-2-chlorophenol;(2R)-2-cyclopropyl-1,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID144701399
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC Nameacetaldehyde;5-amino-2-chlorophenol;(2R)-2-cyclopropyl-1,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC1Cc2cc(C(N)=O)ccc2N(C)[C@H]1C1CC1.CC=O.Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C15H20N2O.C6H6ClNO.C2H4O/c1-9-7-12-8-11(15(16)18)5-6-13(12)17(2)14(9)10-3-4-10;7-5-2-1-4(8)3-6(5)9;1-2-3/h5-6,8-10,14H,3-4,7H2,1-2H3,(H2,16,18);1-3,9H,8H2;2H,1H3/t9?,14-;;/m1../s1
InChIKeyFIZLWKOSLIJCPR-IHFNBVMCSA-N
XLogP4.03
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;5-amino-2-chlorophenol;(2R)-2-cyclopropyl-1,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of acetaldehyde;5-amino-2-chlorophenol;(2R)-2-cyclopropyl-1,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 144701399) is acetaldehyde;5-amino-2-chlorophenol;(2R)-2-cyclopropyl-1,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for acetaldehyde;5-amino-2-chlorophenol;(2R)-2-cyclopropyl-1,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for acetaldehyde;5-amino-2-chlorophenol;(2R)-2-cyclopropyl-1,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide is CC1Cc2cc(C(N)=O)ccc2N(C)[C@H]1C1CC1.CC=O.Nc1ccc(Cl)c(O)c1.
What is the InChIKey of acetaldehyde;5-amino-2-chlorophenol;(2R)-2-cyclopropyl-1,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is FIZLWKOSLIJCPR-IHFNBVMCSA-N. The full InChI is InChI=1S/C15H20N2O.C6H6ClNO.C2H4O/c1-9-7-12-8-11(15(16)18)5-6-13(12)17(2)14(9)10-3-4-10;7-5-2-1-4(8)3-6(5)9;1-2-3/h5-6,8-10,14H,3-4,7H2,1-2H3,(H2,16,18);1-3,9H,8H2;2H,1H3/t9?,14-;;/m1../s1.
What are the key properties of acetaldehyde;5-amino-2-chlorophenol;(2R)-2-cyclopropyl-1,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
acetaldehyde;5-amino-2-chlorophenol;(2R)-2-cyclopropyl-1,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 431.96 g/mol, XLogP of 4.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;5-amino-2-chlorophenol;(2R)-2-cyclopropyl-1,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 144701399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).