7-chloro-6-[(piperidin-4-ylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C13H17ClN4O2 — CID 70883894

IUPAC7-chloro-6-[(piperidin-4-ylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cc(Cl)c(CNC3CCNCC3)nc2N1
InChIInChI=1S/C13H17ClN4O2/c14-9-5-11-13(18-12(19)7-20-11)17-10(9)6-16-8-1-3-15-4-2-8/h5,8,15-16H,1-4,6-7H2,(H,17,18,19)
InChIKeyHVWUXRITCOMRKU-UHFFFAOYSA-N
MW296.76 g/mol
LogP0.91
Rot. Bonds3

About 7-chloro-6-[(piperidin-4-ylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

7-chloro-6-[(piperidin-4-ylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 70883894) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 7-chloro-6-[(piperidin-4-ylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-chloro-6-[(piperidin-4-ylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID70883894
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name7-chloro-6-[(piperidin-4-ylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cc(Cl)c(CNC3CCNCC3)nc2N1
InChIInChI=1S/C13H17ClN4O2/c14-9-5-11-13(18-12(19)7-20-11)17-10(9)6-16-8-1-3-15-4-2-8/h5,8,15-16H,1-4,6-7H2,(H,17,18,19)
InChIKeyHVWUXRITCOMRKU-UHFFFAOYSA-N
XLogP0.91
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-chloro-6-[(piperidin-4-ylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 44536602
7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one
CID 143612671
7-chloro-6-[[[1-[[(3R)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 24872731
6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 66716661
7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25032456
N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine
CID 66519808
6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117001049
N-methyl-3-oxo-N-piperidin-4-yl-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 71215153
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-piperidin-4-ylbutanamide
CID 119722257
6-(aminomethyl)-7-chloro-4H-1,4-benzoxazin-3-one
CID 59298732
6-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075521
7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
CID 89348149

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[(piperidin-4-ylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-chloro-6-[(piperidin-4-ylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 70883894) is 7-chloro-6-[(piperidin-4-ylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-chloro-6-[(piperidin-4-ylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-chloro-6-[(piperidin-4-ylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2cc(Cl)c(CNC3CCNCC3)nc2N1.
What is the InChIKey of 7-chloro-6-[(piperidin-4-ylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is HVWUXRITCOMRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c14-9-5-11-13(18-12(19)7-20-11)17-10(9)6-16-8-1-3-15-4-2-8/h5,8,15-16H,1-4,6-7H2,(H,17,18,19).
What are the key properties of 7-chloro-6-[(piperidin-4-ylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
7-chloro-6-[(piperidin-4-ylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 296.76 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[(piperidin-4-ylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 70883894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).