8-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine

C15H15FN4O — CID 106369883

IUPAC8-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine
SMILESCc1nc(CNc2c(F)cc(N)c3cccnc23)oc1C
InChIInChI=1S/C15H15FN4O/c1-8-9(2)21-13(20-8)7-19-15-11(16)6-12(17)10-4-3-5-18-14(10)15/h3-6,19H,7,17H2,1-2H3
InChIKeyJNUCQIJCISYFKM-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.17
Rot. Bonds3

About 8-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine

8-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine (PubChem CID 106369883) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 8-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine
PubChem CID106369883
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name8-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine
SMILESCc1nc(CNc2c(F)cc(N)c3cccnc23)oc1C
InChIInChI=1S/C15H15FN4O/c1-8-9(2)21-13(20-8)7-19-15-11(16)6-12(17)10-4-3-5-18-14(10)15/h3-6,19H,7,17H2,1-2H3
InChIKeyJNUCQIJCISYFKM-UHFFFAOYSA-N
XLogP3.17
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-4-carboxamide
CID 131900939
2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide
CID 131911967
8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine
CID 106369370
7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine
CID 106369619
7-fluoro-8-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-5,8-diamine
CID 106387602
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoroquinolin-4-amine
CID 119046010
4-[[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methylamino]-6-fluoro-8-methylquinoline-3-carbonitrile
CID 133322234
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-2-methylquinolin-4-amine
CID 133388792
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoro-2-methylquinolin-4-amine
CID 133388805
4,5-Dimethyl-2-[[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole
CID 133401245
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-7-(trifluoromethyl)quinolin-4-amine
CID 133401764
2-[[4-(6,8-Difluoroquinolin-4-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 133518800

Frequently Asked Questions

What is the IUPAC name of 8-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine?
The IUPAC name of 8-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine (CID 106369883) is 8-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine.
What is the SMILES notation for 8-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine?
The canonical SMILES for 8-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine is Cc1nc(CNc2c(F)cc(N)c3cccnc23)oc1C.
What is the InChIKey of 8-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine?
The InChIKey is JNUCQIJCISYFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-8-9(2)21-13(20-8)7-19-15-11(16)6-12(17)10-4-3-5-18-14(10)15/h3-6,19H,7,17H2,1-2H3.
What are the key properties of 8-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine?
8-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine has a molecular weight of 286.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine is sourced from PubChem (CID 106369883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).