N-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide

C22H18FN5O — CID 109351150

IUPACN-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cc(Nc2cccc3cccnc23)ncn1
InChIInChI=1S/C22H18FN5O/c23-17-8-6-15(7-9-17)10-12-25-22(29)19-13-20(27-14-26-19)28-18-5-1-3-16-4-2-11-24-21(16)18/h1-9,11,13-14H,10,12H2,(H,25,29)(H,26,27,28)
InChIKeyJFNQSCCYIRQROD-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.88
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide

N-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide (PubChem CID 109351150) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
PubChem CID109351150
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cc(Nc2cccc3cccnc23)ncn1
InChIInChI=1S/C22H18FN5O/c23-17-8-6-15(7-9-17)10-12-25-22(29)19-13-20(27-14-26-19)28-18-5-1-3-16-4-2-11-24-21(16)18/h1-9,11,13-14H,10,12H2,(H,25,29)(H,26,27,28)
InChIKeyJFNQSCCYIRQROD-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109351074
N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
CID 109172233
6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109359773
N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109211474
6-(2-fluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348436
N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109353483
N-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109352406
N-[2-(4-fluorophenyl)ethyl]-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338676
6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350623
6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350581
6-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351005
6-(2,3-dimethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350580

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide (CID 109351150) is N-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide is O=C(NCCc1ccc(F)cc1)c1cc(Nc2cccc3cccnc23)ncn1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The InChIKey is JFNQSCCYIRQROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c23-17-8-6-15(7-9-17)10-12-25-22(29)19-13-20(27-14-26-19)28-18-5-1-3-16-4-2-11-24-21(16)18/h1-9,11,13-14H,10,12H2,(H,25,29)(H,26,27,28).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109351150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).