1-(4-fluorophenyl)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)cyclopropa[b]quinolin-7-amine

C21H17FN4 — CID 90918751

IUPAC1-(4-fluorophenyl)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)cyclopropa[b]quinolin-7-amine
SMILESCc1cc(Nc2c3c(nc4ccccc24)C3(C)c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C21H17FN4/c1-12-11-17(26-25-12)24-19-15-5-3-4-6-16(15)23-20-18(19)21(20,2)13-7-9-14(22)10-8-13/h3-11H,1-2H3,(H2,23,24,25,26)
InChIKeySJONPXZQQOTCHO-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.82
Rot. Bonds3

About 1-(4-fluorophenyl)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)cyclopropa[b]quinolin-7-amine

1-(4-fluorophenyl)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)cyclopropa[b]quinolin-7-amine (PubChem CID 90918751) has the molecular formula C21H17FN4 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)cyclopropa[b]quinolin-7-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)cyclopropa[b]quinolin-7-amine
PubChem CID90918751
Molecular FormulaC21H17FN4
Molecular Weight344.39 g/mol
Exact Mass344.14
IUPAC Name1-(4-fluorophenyl)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)cyclopropa[b]quinolin-7-amine
SMILESCc1cc(Nc2c3c(nc4ccccc24)C3(C)c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C21H17FN4/c1-12-11-17(26-25-12)24-19-15-5-3-4-6-16(15)23-20-18(19)21(20,2)13-7-9-14(22)10-8-13/h3-11H,1-2H3,(H2,23,24,25,26)
InChIKeySJONPXZQQOTCHO-UHFFFAOYSA-N
XLogP4.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine
CID 123636824
2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170946131
2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170000713
2-(3-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]ethanol
CID 91267082
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine
CID 10178621
3-(4-fluorophenyl)sulfinyl-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine
CID 56929174
(4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid
CID 68787141
(S)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol sulfate
CID 71727288
2-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 20604329
3-(5-fluoro-2-pyridinyl)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]propanenitrile
CID 66614046
(3S)-3-(5-fluoro-2-pyridinyl)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]propanenitrile
CID 66614048
2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10201719

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)cyclopropa[b]quinolin-7-amine?
The IUPAC name of 1-(4-fluorophenyl)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)cyclopropa[b]quinolin-7-amine (CID 90918751) is 1-(4-fluorophenyl)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)cyclopropa[b]quinolin-7-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)cyclopropa[b]quinolin-7-amine?
The canonical SMILES for 1-(4-fluorophenyl)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)cyclopropa[b]quinolin-7-amine is Cc1cc(Nc2c3c(nc4ccccc24)C3(C)c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 1-(4-fluorophenyl)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)cyclopropa[b]quinolin-7-amine?
The InChIKey is SJONPXZQQOTCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4/c1-12-11-17(26-25-12)24-19-15-5-3-4-6-16(15)23-20-18(19)21(20,2)13-7-9-14(22)10-8-13/h3-11H,1-2H3,(H2,23,24,25,26).
What are the key properties of 1-(4-fluorophenyl)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)cyclopropa[b]quinolin-7-amine?
1-(4-fluorophenyl)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)cyclopropa[b]quinolin-7-amine has a molecular weight of 344.39 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)cyclopropa[b]quinolin-7-amine is sourced from PubChem (CID 90918751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).