(E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-quinolin-8-ylprop-2-enamide

C23H19FN4O — CID 18209299

IUPAC(E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-quinolin-8-ylprop-2-enamide
SMILESCn1ccnc1C(NC(=O)/C=C/c1cccc2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C23H19FN4O/c1-28-15-14-26-23(28)22(18-7-10-19(24)11-8-18)27-20(29)12-9-17-5-2-4-16-6-3-13-25-21(16)17/h2-15,22H,1H3,(H,27,29)/b12-9+
InChIKeyAPJFRFHZXKDDPV-FMIVXFBMSA-N
MW386.43 g/mol
LogP4.03
Rot. Bonds5

About (E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-quinolin-8-ylprop-2-enamide

(E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-quinolin-8-ylprop-2-enamide (PubChem CID 18209299) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is (E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-quinolin-8-ylprop-2-enamide
PubChem CID18209299
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name(E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-quinolin-8-ylprop-2-enamide
SMILESCn1ccnc1C(NC(=O)/C=C/c1cccc2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C23H19FN4O/c1-28-15-14-26-23(28)22(18-7-10-19(24)11-8-18)27-20(29)12-9-17-5-2-4-16-6-3-13-25-21(16)17/h2-15,22H,1H3,(H,27,29)/b12-9+
InChIKeyAPJFRFHZXKDDPV-FMIVXFBMSA-N
XLogP4.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 46642025
(E)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 9247948
N-benzhydryl-3-quinolin-8-ylprop-2-enamide
CID 55503823
(E)-3-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 24529708
(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide
CID 24616881
(E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 55491500
(E)-3-(4-chloro-3-nitrophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 55462497
(Z)-3-(2,6-difluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 94232728
(Z)-3-(2,6-difluorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 94232727
1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea
CID 24616480
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 27453749
(2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide
CID 25344752

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-quinolin-8-ylprop-2-enamide (CID 18209299) is (E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-quinolin-8-ylprop-2-enamide is Cn1ccnc1C(NC(=O)/C=C/c1cccc2cccnc12)c1ccc(F)cc1.
What is the InChIKey of (E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-quinolin-8-ylprop-2-enamide?
The InChIKey is APJFRFHZXKDDPV-FMIVXFBMSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-28-15-14-26-23(28)22(18-7-10-19(24)11-8-18)27-20(29)12-9-17-5-2-4-16-6-3-13-25-21(16)17/h2-15,22H,1H3,(H,27,29)/b12-9+.
What are the key properties of (E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-quinolin-8-ylprop-2-enamide?
(E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-quinolin-8-ylprop-2-enamide has a molecular weight of 386.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 18209299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).