8-chloro-3-[(1S)-1-[[4-(1,3-oxazol-2-ylamino)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one

C18H15ClN6O2 — CID 146221947

IUPAC8-chloro-3-[(1S)-1-[[4-(1,3-oxazol-2-ylamino)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
SMILESC[C@H](Nc1nccc(Nc2ncco2)n1)c1cc2cccc(Cl)c2[nH]c1=O
InChIInChI=1S/C18H15ClN6O2/c1-10(12-9-11-3-2-4-13(19)15(11)25-16(12)26)22-17-20-6-5-14(23-17)24-18-21-7-8-27-18/h2-10H,1H3,(H,25,26)(H2,20,21,22,23,24)/t10-/m0/s1
InChIKeyCGCWYLSYFZKHLK-JTQLQIEISA-N
MW382.81 g/mol
LogP3.88
Rot. Bonds5

About 8-chloro-3-[(1S)-1-[[4-(1,3-oxazol-2-ylamino)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one

8-chloro-3-[(1S)-1-[[4-(1,3-oxazol-2-ylamino)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one (PubChem CID 146221947) has the molecular formula C18H15ClN6O2 and a molecular weight of 382.81 g/mol. Its IUPAC name is 8-chloro-3-[(1S)-1-[[4-(1,3-oxazol-2-ylamino)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-chloro-3-[(1S)-1-[[4-(1,3-oxazol-2-ylamino)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
PubChem CID146221947
Molecular FormulaC18H15ClN6O2
Molecular Weight382.81 g/mol
Exact Mass382.09
IUPAC Name8-chloro-3-[(1S)-1-[[4-(1,3-oxazol-2-ylamino)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
SMILESC[C@H](Nc1nccc(Nc2ncco2)n1)c1cc2cccc(Cl)c2[nH]c1=O
InChIInChI=1S/C18H15ClN6O2/c1-10(12-9-11-3-2-4-13(19)15(11)25-16(12)26)22-17-20-6-5-14(23-17)24-18-21-7-8-27-18/h2-10H,1H3,(H,25,26)(H2,20,21,22,23,24)/t10-/m0/s1
InChIKeyCGCWYLSYFZKHLK-JTQLQIEISA-N
XLogP3.88
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-chloro-3-[(1S)-1-[[4-(1,3-oxazol-2-ylamino)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[(1S)-1-[[4-(1,3-oxazol-2-ylamino)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one?
The IUPAC name of 8-chloro-3-[(1S)-1-[[4-(1,3-oxazol-2-ylamino)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one (CID 146221947) is 8-chloro-3-[(1S)-1-[[4-(1,3-oxazol-2-ylamino)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-chloro-3-[(1S)-1-[[4-(1,3-oxazol-2-ylamino)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one?
The canonical SMILES for 8-chloro-3-[(1S)-1-[[4-(1,3-oxazol-2-ylamino)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one is C[C@H](Nc1nccc(Nc2ncco2)n1)c1cc2cccc(Cl)c2[nH]c1=O.
What is the InChIKey of 8-chloro-3-[(1S)-1-[[4-(1,3-oxazol-2-ylamino)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one?
The InChIKey is CGCWYLSYFZKHLK-JTQLQIEISA-N. The full InChI is InChI=1S/C18H15ClN6O2/c1-10(12-9-11-3-2-4-13(19)15(11)25-16(12)26)22-17-20-6-5-14(23-17)24-18-21-7-8-27-18/h2-10H,1H3,(H,25,26)(H2,20,21,22,23,24)/t10-/m0/s1.
What are the key properties of 8-chloro-3-[(1S)-1-[[4-(1,3-oxazol-2-ylamino)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one?
8-chloro-3-[(1S)-1-[[4-(1,3-oxazol-2-ylamino)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one has a molecular weight of 382.81 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[(1S)-1-[[4-(1,3-oxazol-2-ylamino)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 146221947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).