7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one

C26H32ClN5O4 — CID 143612671

IUPAC7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one
SMILESCCCn1c(=O)ccc2ncc(OC)cc21.O=C1COc2cc(Cl)c(CNC3CCCCC3)nc2N1
InChIInChI=1S/C14H18ClN3O2.C12H14N2O2/c15-10-6-12-14(18-13(19)8-20-12)17-11(10)7-16-9-4-2-1-3-5-9;1-3-6-14-11-7-9(16-2)8-13-10(11)4-5-12(14)15/h6,9,16H,1-5,7-8H2,(H,17,18,19);4-5,7-8H,3,6H2,1-2H3
InChIKeyDNRIZTVDCKEOGD-UHFFFAOYSA-N
MW514.03 g/mol
LogP4.30
Rot. Bonds6

About 7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one

7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one (PubChem CID 143612671) has the molecular formula C26H32ClN5O4 and a molecular weight of 514.03 g/mol. Its IUPAC name is 7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one
PubChem CID143612671
Molecular FormulaC26H32ClN5O4
Molecular Weight514.03 g/mol
Exact Mass513.21
IUPAC Name7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one
SMILESCCCn1c(=O)ccc2ncc(OC)cc21.O=C1COc2cc(Cl)c(CNC3CCCCC3)nc2N1
InChIInChI=1S/C14H18ClN3O2.C12H14N2O2/c15-10-6-12-14(18-13(19)8-20-12)17-11(10)7-16-9-4-2-1-3-5-9;1-3-6-14-11-7-9(16-2)8-13-10(11)4-5-12(14)15/h6,9,16H,1-5,7-8H2,(H,17,18,19);4-5,7-8H,3,6H2,1-2H3
InChIKeyDNRIZTVDCKEOGD-UHFFFAOYSA-N
XLogP4.30
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.03
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-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

Related Compounds

2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 67010777
7-chloro-6-[(piperidin-4-ylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 70883894
6-[[[(3S,4R)-3-fluoro-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90644115
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
6-[[[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 59398425
6-[(3aS,6S,7aS)-6-[3-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)propylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 130303467
6-[[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71152864
6-[(3aR,7aS)-5-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 137459984
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
1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68856388
6-[[[2-[1-hydroxy-2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 146503229
1-[2-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68853701

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one?
The IUPAC name of 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) is 7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one?
The canonical SMILES for 7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one is CCCn1c(=O)ccc2ncc(OC)cc21.O=C1COc2cc(Cl)c(CNC3CCCCC3)nc2N1.
What is the InChIKey of 7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one?
The InChIKey is DNRIZTVDCKEOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2.C12H14N2O2/c15-10-6-12-14(18-13(19)8-20-12)17-11(10)7-16-9-4-2-1-3-5-9;1-3-6-14-11-7-9(16-2)8-13-10(11)4-5-12(14)15/h6,9,16H,1-5,7-8H2,(H,17,18,19);4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one?
7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one has a molecular weight of 514.03 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 143612671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).