3-amino-N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide

C18H21FN3O2P — CID 170102348

IUPAC3-amino-N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCC(F)(P)Oc1ccc(NC(=O)N2CC(N)Cc3ccccc32)cc1
InChIInChI=1S/C18H21FN3O2P/c1-18(19,25)24-15-8-6-14(7-9-15)21-17(23)22-11-13(20)10-12-4-2-3-5-16(12)22/h2-9,13H,10-11,20,25H2,1H3,(H,21,23)
InChIKeyJZSKMKJKQVQWTM-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.51
Rot. Bonds3

About 3-amino-N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide

3-amino-N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 170102348) has the molecular formula C18H21FN3O2P and a molecular weight of 361.36 g/mol. Its IUPAC name is 3-amino-N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID170102348
Molecular FormulaC18H21FN3O2P
Molecular Weight361.36 g/mol
Exact Mass361.14
IUPAC Name3-amino-N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCC(F)(P)Oc1ccc(NC(=O)N2CC(N)Cc3ccccc32)cc1
InChIInChI=1S/C18H21FN3O2P/c1-18(19,25)24-15-8-6-14(7-9-15)21-17(23)22-11-13(20)10-12-4-2-3-5-16(12)22/h2-9,13H,10-11,20,25H2,1H3,(H,21,23)
InChIKeyJZSKMKJKQVQWTM-UHFFFAOYSA-N
XLogP3.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one
CID 103021502
1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone
CID 103514183
N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]propanamide
CID 170102593
2-oxo-N-[4-(trifluoromethoxy)phenyl]-3H-indole-1-carboxamide
CID 118444181
3-(ethenylsulfonylamino)-N-[4-[fluoro-bis(phosphanyl)methoxy]phenyl]-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 170102449
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821989
methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8001225
methyl-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8001223
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111097787
N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110662911
3-methyl-N-phenyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-carboxamide
CID 107388767
N-(4-aminophenyl)-2,3-dihydroindole-1-carboxamide
CID 43469027

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 170102348) is 3-amino-N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide is CC(F)(P)Oc1ccc(NC(=O)N2CC(N)Cc3ccccc32)cc1.
What is the InChIKey of 3-amino-N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is JZSKMKJKQVQWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN3O2P/c1-18(19,25)24-15-8-6-14(7-9-15)21-17(23)22-11-13(20)10-12-4-2-3-5-16(12)22/h2-9,13H,10-11,20,25H2,1H3,(H,21,23).
What are the key properties of 3-amino-N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
3-amino-N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 361.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 170102348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).