6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide

C22H18FN5O — CID 109351074

IUPAC6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(NCCc2ccc(F)cc2)ncn1
InChIInChI=1S/C22H18FN5O/c23-17-8-6-15(7-9-17)10-12-24-20-13-19(26-14-27-20)22(29)28-18-5-1-3-16-4-2-11-25-21(16)18/h1-9,11,13-14H,10,12H2,(H,28,29)(H,24,26,27)
InChIKeyJCDXGQRYMPKEHM-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.07
Rot. Bonds6

About 6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide

6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 109351074) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID109351074
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC Name6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(NCCc2ccc(F)cc2)ncn1
InChIInChI=1S/C22H18FN5O/c23-17-8-6-15(7-9-17)10-12-24-20-13-19(26-14-27-20)22(29)28-18-5-1-3-16-4-2-11-25-21(16)18/h1-9,11,13-14H,10,12H2,(H,28,29)(H,24,26,27)
InChIKeyJCDXGQRYMPKEHM-UHFFFAOYSA-N
XLogP4.07
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109351150
6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109347369
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109351052
6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109344830
4-(2-phenylethylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109213726
6-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109351026
6-(1,3-benzodioxol-5-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109349300
N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351447
N-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351078
3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide
CID 109025202
N-(3-chloro-4-methylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351050
6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109359773

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 109351074) is 6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide is O=C(Nc1cccc2cccnc12)c1cc(NCCc2ccc(F)cc2)ncn1.
What is the InChIKey of 6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is JCDXGQRYMPKEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c23-17-8-6-15(7-9-17)10-12-24-20-13-19(26-14-27-20)22(29)28-18-5-1-3-16-4-2-11-25-21(16)18/h1-9,11,13-14H,10,12H2,(H,28,29)(H,24,26,27).
What are the key properties of 6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109351074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).