1-(2-aminoethyl)-7-methoxy-1,8-naphthyridin-2-one;cyclohexyl-(7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)carbamic acid

C24H29N7O6 — CID 145350694

IUPAC1-(2-aminoethyl)-7-methoxy-1,8-naphthyridin-2-one;cyclohexyl-(7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)carbamic acid
SMILESCOc1ccc2ccc(=O)n(CCN)c2n1.O=C1COc2cnc(N(C(=O)O)C3CCCCC3)nc2N1
InChIInChI=1S/C13H16N4O4.C11H13N3O2/c18-10-7-21-9-6-14-12(16-11(9)15-10)17(13(19)20)8-4-2-1-3-5-8;1-16-9-4-2-8-3-5-10(15)14(7-6-12)11(8)13-9/h6,8H,1-5,7H2,(H,19,20)(H,14,15,16,18);2-5H,6-7,12H2,1H3
InChIKeyJJBVXZHQCALFJI-UHFFFAOYSA-N
MW511.54 g/mol
LogP1.99
Rot. Bonds5

About 1-(2-aminoethyl)-7-methoxy-1,8-naphthyridin-2-one;cyclohexyl-(7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)carbamic acid

1-(2-aminoethyl)-7-methoxy-1,8-naphthyridin-2-one;cyclohexyl-(7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)carbamic acid (PubChem CID 145350694) has the molecular formula C24H29N7O6 and a molecular weight of 511.54 g/mol. Its IUPAC name is 1-(2-aminoethyl)-7-methoxy-1,8-naphthyridin-2-one;cyclohexyl-(7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)carbamic acid.

Molecular Properties

Compound Name1-(2-aminoethyl)-7-methoxy-1,8-naphthyridin-2-one;cyclohexyl-(7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)carbamic acid
PubChem CID145350694
Molecular FormulaC24H29N7O6
Molecular Weight511.54 g/mol
Exact Mass511.22
IUPAC Name1-(2-aminoethyl)-7-methoxy-1,8-naphthyridin-2-one;cyclohexyl-(7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)carbamic acid
SMILESCOc1ccc2ccc(=O)n(CCN)c2n1.O=C1COc2cnc(N(C(=O)O)C3CCCCC3)nc2N1
InChIInChI=1S/C13H16N4O4.C11H13N3O2/c18-10-7-21-9-6-14-12(16-11(9)15-10)17(13(19)20)8-4-2-1-3-5-8;1-16-9-4-2-8-3-5-10(15)14(7-6-12)11(8)13-9/h6,8H,1-5,7H2,(H,19,20)(H,14,15,16,18);2-5H,6-7,12H2,1H3
InChIKeyJJBVXZHQCALFJI-UHFFFAOYSA-N
XLogP1.99
TPSA174.79 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.54
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-(2-aminoethyl)-7-methoxy-1,8-naphthyridin-2-one;cyclohexyl-(7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)carbamic acid with MolForge

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Related Compounds

2-[3-[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]pyrrolidin-3-yl]propyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 159551725
1-(3-aminopropyl)-7-methoxy-1,8-naphthyridin-2-one
CID 145350680
[3-[2-(7-methoxy-2-oxo-1,6-naphthyridin-1-yl)ethylamino]cyclohexyl] N-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate
CID 130336605
1-[2-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-7-methoxy-1,8-naphthyridin-2-one;carbamic acid
CID 157269735
6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 126601072
6-[(4R)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90264365
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
6-[(4S)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90264238
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
N-[4-[2-[(6-methoxy-1,5-naphthyridin-3-yl)oxy]ethyl]cyclohexyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 46852384
N-[1-tert-butyl-1-[2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-1-ium-4-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)carbamate
CID 68811116
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid
CID 68809502

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-7-methoxy-1,8-naphthyridin-2-one;cyclohexyl-(7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)carbamic acid?
The IUPAC name of 1-(2-aminoethyl)-7-methoxy-1,8-naphthyridin-2-one;cyclohexyl-(7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)carbamic acid (CID 145350694) is 1-(2-aminoethyl)-7-methoxy-1,8-naphthyridin-2-one;cyclohexyl-(7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)carbamic acid.
What is the SMILES notation for 1-(2-aminoethyl)-7-methoxy-1,8-naphthyridin-2-one;cyclohexyl-(7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)carbamic acid?
The canonical SMILES for 1-(2-aminoethyl)-7-methoxy-1,8-naphthyridin-2-one;cyclohexyl-(7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)carbamic acid is COc1ccc2ccc(=O)n(CCN)c2n1.O=C1COc2cnc(N(C(=O)O)C3CCCCC3)nc2N1.
What is the InChIKey of 1-(2-aminoethyl)-7-methoxy-1,8-naphthyridin-2-one;cyclohexyl-(7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)carbamic acid?
The InChIKey is JJBVXZHQCALFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4.C11H13N3O2/c18-10-7-21-9-6-14-12(16-11(9)15-10)17(13(19)20)8-4-2-1-3-5-8;1-16-9-4-2-8-3-5-10(15)14(7-6-12)11(8)13-9/h6,8H,1-5,7H2,(H,19,20)(H,14,15,16,18);2-5H,6-7,12H2,1H3.
What are the key properties of 1-(2-aminoethyl)-7-methoxy-1,8-naphthyridin-2-one;cyclohexyl-(7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)carbamic acid?
1-(2-aminoethyl)-7-methoxy-1,8-naphthyridin-2-one;cyclohexyl-(7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)carbamic acid has a molecular weight of 511.54 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-7-methoxy-1,8-naphthyridin-2-one;cyclohexyl-(7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)carbamic acid is sourced from PubChem (CID 145350694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).