7-chloro-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine

C19H14ClN3O — CID 71451019

IUPAC7-chloro-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine
SMILESClc1ccc2c(NCc3nc(-c4ccccc4)co3)ccnc2c1
InChIInChI=1S/C19H14ClN3O/c20-14-6-7-15-16(8-9-21-17(15)10-14)22-11-19-23-18(12-24-19)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,21,22)
InChIKeyILQPRTKYYDFFLO-UHFFFAOYSA-N
MW335.79 g/mol
LogP5.16
Rot. Bonds4

About 7-chloro-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine

7-chloro-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine (PubChem CID 71451019) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 7-chloro-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine
PubChem CID71451019
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name7-chloro-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine
SMILESClc1ccc2c(NCc3nc(-c4ccccc4)co3)ccnc2c1
InChIInChI=1S/C19H14ClN3O/c20-14-6-7-15-16(8-9-21-17(15)10-14)22-11-19-23-18(12-24-19)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,21,22)
InChIKeyILQPRTKYYDFFLO-UHFFFAOYSA-N
XLogP5.16
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.79
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)ethyl]-N-(7-chloroquinolin-4-yl)butane-1,4-diamine
CID 23625601
N-[(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)methyl]-N'-(7-chloroquinolin-4-yl)ethane-1,2-diamine
CID 44433427
N-[(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine
CID 44433429
N'-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-(7-chloroquinolin-4-yl)butane-1,4-diamine
CID 44433430
N'-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-(7-chloroquinolin-4-yl)hexane-1,6-diamine
CID 44433431
4-[4-Benzyl-2-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazol-5-yl]morpholine
CID 44433432
N'-[1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)ethyl]-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine
CID 44433433
N'-[1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)ethyl]-N-(7-chloroquinolin-4-yl)propane-1,3-diamine
CID 44433434
N'-[1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)ethyl]-N-(7-chloroquinolin-4-yl)hexane-1,6-diamine
CID 44433435
4-[4-Benzyl-2-[1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]-1,3-oxazol-5-yl]morpholine
CID 44433436
8-Chloro-4-(3-chloro-4-fluoroanilino)-6-[[(4-fluorophenyl)-(1,3-oxazol-2-yl)methyl]amino]quinoline-3-carbonitrile
CID 132104832
2-[[4-[(5-Fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole
CID 86895343

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine (CID 71451019) is 7-chloro-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine is Clc1ccc2c(NCc3nc(-c4ccccc4)co3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine?
The InChIKey is ILQPRTKYYDFFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c20-14-6-7-15-16(8-9-21-17(15)10-14)22-11-19-23-18(12-24-19)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,21,22).
What are the key properties of 7-chloro-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine?
7-chloro-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine has a molecular weight of 335.79 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(4-phenyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 71451019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).