8-chloro-3-methylquinoline-6-carbaldehyde;2-cyclopropyl-N-methyl-2-[3-methyl-7-(2,4,5-trifluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine;hydroxylamine

C31H32ClF3N4O3 — CID 164911339

IUPAC8-chloro-3-methylquinoline-6-carbaldehyde;2-cyclopropyl-N-methyl-2-[3-methyl-7-(2,4,5-trifluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine;hydroxylamine
SMILESCNCC(c1cc2c(c(-c3cc(F)c(F)cc3F)n1)OCC2C)C1CC1.Cc1cnc2c(Cl)cc(C=O)cc2c1.NO
InChIInChI=1S/C20H21F3N2O.C11H8ClNO.H3NO/c1-10-9-26-20-12(10)6-18(14(8-24-2)11-3-4-11)25-19(20)13-5-16(22)17(23)7-15(13)21;1-7-2-9-3-8(6-14)4-10(12)11(9)13-5-7;1-2/h5-7,10-11,14,24H,3-4,8-9H2,1-2H3;2-6H,1H3;2H,1H2
InChIKeyYNBQTWHBFRRAQM-UHFFFAOYSA-N
MW601.07 g/mol
LogP6.72
Rot. Bonds6

About 8-chloro-3-methylquinoline-6-carbaldehyde;2-cyclopropyl-N-methyl-2-[3-methyl-7-(2,4,5-trifluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine;hydroxylamine

8-chloro-3-methylquinoline-6-carbaldehyde;2-cyclopropyl-N-methyl-2-[3-methyl-7-(2,4,5-trifluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine;hydroxylamine (PubChem CID 164911339) has the molecular formula C31H32ClF3N4O3 and a molecular weight of 601.07 g/mol. Its IUPAC name is 8-chloro-3-methylquinoline-6-carbaldehyde;2-cyclopropyl-N-methyl-2-[3-methyl-7-(2,4,5-trifluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine;hydroxylamine.

Molecular Properties

Compound Name8-chloro-3-methylquinoline-6-carbaldehyde;2-cyclopropyl-N-methyl-2-[3-methyl-7-(2,4,5-trifluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine;hydroxylamine
PubChem CID164911339
Molecular FormulaC31H32ClF3N4O3
Molecular Weight601.07 g/mol
Exact Mass600.21
IUPAC Name8-chloro-3-methylquinoline-6-carbaldehyde;2-cyclopropyl-N-methyl-2-[3-methyl-7-(2,4,5-trifluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine;hydroxylamine
SMILESCNCC(c1cc2c(c(-c3cc(F)c(F)cc3F)n1)OCC2C)C1CC1.Cc1cnc2c(Cl)cc(C=O)cc2c1.NO
InChIInChI=1S/C20H21F3N2O.C11H8ClNO.H3NO/c1-10-9-26-20-12(10)6-18(14(8-24-2)11-3-4-11)25-19(20)13-5-16(22)17(23)7-15(13)21;1-7-2-9-3-8(6-14)4-10(12)11(9)13-5-7;1-2/h5-7,10-11,14,24H,3-4,8-9H2,1-2H3;2-6H,1H3;2H,1H2
InChIKeyYNBQTWHBFRRAQM-UHFFFAOYSA-N
XLogP6.72
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.07
LogP ≤ 56.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[7-(3-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]formamide
CID 169240887
3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine
CID 164910750
7-(3-chloro-4-fluorophenyl)-5-[1-cyclopropyl-2-(methylamino)ethyl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide
CID 169241274
4-(aziridin-2-yl)-2-(4-chloro-2,5-difluorophenyl)-6-[1-cyclopropyl-2-(methylamino)ethyl]pyridin-3-ol
CID 169241006
(3R)-7-(3-bromo-2-fluorophenyl)-5-[(1R)-2-[(8-chloro-3-methylquinoline-6-carbonyl)amino]-1-cyclopropylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164911396
8-chloro-3,6-dimethylquinoline;N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide;formamide
CID 169241089
4-amino-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-3-[(E)-difluoromethyliminomethyl]-5-methoxybenzamide;formaldehyde;methanamine
CID 169241223
(3R)-7-(4-chloro-2,3-difluorophenyl)-5-[(1R)-1-cyclopropyl-2-[[8-(difluoromethoxy)-3-methylquinoline-6-carbonyl]amino]ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164910456
3,8-dimethylquinoline-6-carbaldehyde;methanol;methylcyclopropane
CID 156718025
3-fluoro-8-methoxy-2-methyl-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide;formamide
CID 156872800
3-bromo-N-[2-[7-(5-chloro-2,4-difluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxyquinoline-6-carboxamide
CID 164910918
2-cyclopropyl-N-[1-[2-(difluoromethyl)-7-methoxyindazol-5-yl]ethenyl]-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine
CID 169240906

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methylquinoline-6-carbaldehyde;2-cyclopropyl-N-methyl-2-[3-methyl-7-(2,4,5-trifluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine;hydroxylamine?
The IUPAC name of 8-chloro-3-methylquinoline-6-carbaldehyde;2-cyclopropyl-N-methyl-2-[3-methyl-7-(2,4,5-trifluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine;hydroxylamine (CID 164911339) is 8-chloro-3-methylquinoline-6-carbaldehyde;2-cyclopropyl-N-methyl-2-[3-methyl-7-(2,4,5-trifluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine;hydroxylamine.
What is the SMILES notation for 8-chloro-3-methylquinoline-6-carbaldehyde;2-cyclopropyl-N-methyl-2-[3-methyl-7-(2,4,5-trifluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine;hydroxylamine?
The canonical SMILES for 8-chloro-3-methylquinoline-6-carbaldehyde;2-cyclopropyl-N-methyl-2-[3-methyl-7-(2,4,5-trifluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine;hydroxylamine is CNCC(c1cc2c(c(-c3cc(F)c(F)cc3F)n1)OCC2C)C1CC1.Cc1cnc2c(Cl)cc(C=O)cc2c1.NO.
What is the InChIKey of 8-chloro-3-methylquinoline-6-carbaldehyde;2-cyclopropyl-N-methyl-2-[3-methyl-7-(2,4,5-trifluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine;hydroxylamine?
The InChIKey is YNBQTWHBFRRAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O.C11H8ClNO.H3NO/c1-10-9-26-20-12(10)6-18(14(8-24-2)11-3-4-11)25-19(20)13-5-16(22)17(23)7-15(13)21;1-7-2-9-3-8(6-14)4-10(12)11(9)13-5-7;1-2/h5-7,10-11,14,24H,3-4,8-9H2,1-2H3;2-6H,1H3;2H,1H2.
What are the key properties of 8-chloro-3-methylquinoline-6-carbaldehyde;2-cyclopropyl-N-methyl-2-[3-methyl-7-(2,4,5-trifluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine;hydroxylamine?
8-chloro-3-methylquinoline-6-carbaldehyde;2-cyclopropyl-N-methyl-2-[3-methyl-7-(2,4,5-trifluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine;hydroxylamine has a molecular weight of 601.07 g/mol, XLogP of 6.72, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methylquinoline-6-carbaldehyde;2-cyclopropyl-N-methyl-2-[3-methyl-7-(2,4,5-trifluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine;hydroxylamine is sourced from PubChem (CID 164911339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).