[2-methyl-5-(8-methyl-2-oxobenzo[h][1,6]naphthyridin-1-yl)phenyl]urea

C21H18N4O2 — CID 155378291

IUPAC[2-methyl-5-(8-methyl-2-oxobenzo[h][1,6]naphthyridin-1-yl)phenyl]urea
SMILESCc1ccc2c(c1)ncc1ccc(=O)n(-c3ccc(C)c(NC(N)=O)c3)c12
InChIInChI=1S/C21H18N4O2/c1-12-3-7-16-18(9-12)23-11-14-5-8-19(26)25(20(14)16)15-6-4-13(2)17(10-15)24-21(22)27/h3-11H,1-2H3,(H3,22,24,27)
InChIKeyBORFCKQHNGQAPB-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.65
Rot. Bonds2

About [2-methyl-5-(8-methyl-2-oxobenzo[h][1,6]naphthyridin-1-yl)phenyl]urea

[2-methyl-5-(8-methyl-2-oxobenzo[h][1,6]naphthyridin-1-yl)phenyl]urea (PubChem CID 155378291) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is [2-methyl-5-(8-methyl-2-oxobenzo[h][1,6]naphthyridin-1-yl)phenyl]urea.

Molecular Properties

Compound Name[2-methyl-5-(8-methyl-2-oxobenzo[h][1,6]naphthyridin-1-yl)phenyl]urea
PubChem CID155378291
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name[2-methyl-5-(8-methyl-2-oxobenzo[h][1,6]naphthyridin-1-yl)phenyl]urea
SMILESCc1ccc2c(c1)ncc1ccc(=O)n(-c3ccc(C)c(NC(N)=O)c3)c12
InChIInChI=1S/C21H18N4O2/c1-12-3-7-16-18(9-12)23-11-14-5-8-19(26)25(20(14)16)15-6-4-13(2)17(10-15)24-21(22)27/h3-11H,1-2H3,(H3,22,24,27)
InChIKeyBORFCKQHNGQAPB-UHFFFAOYSA-N
XLogP3.65
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[5-[9-(1,5-dihydropyrazol-2-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-ynamide
CID 129058608
ethane;N-[2-methyl-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]propanamide
CID 144979023
9-methyl-1-[2-(3-methylbut-2-enoyl)-1,3-dihydroisoindol-5-yl]benzo[h][1,6]naphthyridin-2-one
CID 118148079
9-(2-aminopyrimidin-5-yl)-1-(3,4-dimethylphenyl)benzo[h][1,6]naphthyridin-2-one
CID 58524950
N-[2-chloro-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]acetamide
CID 129048369
N-[5-[9-[[3-[9-(isoquinolin-7-ylamino)-1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-4-yl]isoquinolin-6-yl]amino]-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide
CID 123929454
1-(3-methylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 58525137
1-[3-(buta-1,3-dien-2-ylamino)-4-methylphenyl]-9-[4-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]benzo[h][1,6]naphthyridin-2-one;butane
CID 144611338
6-amino-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 62155556
N-[2-(difluoromethyl)-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide
CID 129098449
N-[4-[1-(4-methyl-3-nitrophenyl)-2-oxobenzo[h][1,6]naphthyridin-9-yl]phenyl]methanesulfonamide
CID 129011312
(5-carbamothioyl-2-methylphenyl)urea
CID 62104099

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(8-methyl-2-oxobenzo[h][1,6]naphthyridin-1-yl)phenyl]urea?
The IUPAC name of [2-methyl-5-(8-methyl-2-oxobenzo[h][1,6]naphthyridin-1-yl)phenyl]urea (CID 155378291) is [2-methyl-5-(8-methyl-2-oxobenzo[h][1,6]naphthyridin-1-yl)phenyl]urea.
What is the SMILES notation for [2-methyl-5-(8-methyl-2-oxobenzo[h][1,6]naphthyridin-1-yl)phenyl]urea?
The canonical SMILES for [2-methyl-5-(8-methyl-2-oxobenzo[h][1,6]naphthyridin-1-yl)phenyl]urea is Cc1ccc2c(c1)ncc1ccc(=O)n(-c3ccc(C)c(NC(N)=O)c3)c12.
What is the InChIKey of [2-methyl-5-(8-methyl-2-oxobenzo[h][1,6]naphthyridin-1-yl)phenyl]urea?
The InChIKey is BORFCKQHNGQAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-12-3-7-16-18(9-12)23-11-14-5-8-19(26)25(20(14)16)15-6-4-13(2)17(10-15)24-21(22)27/h3-11H,1-2H3,(H3,22,24,27).
What are the key properties of [2-methyl-5-(8-methyl-2-oxobenzo[h][1,6]naphthyridin-1-yl)phenyl]urea?
[2-methyl-5-(8-methyl-2-oxobenzo[h][1,6]naphthyridin-1-yl)phenyl]urea has a molecular weight of 358.40 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(8-methyl-2-oxobenzo[h][1,6]naphthyridin-1-yl)phenyl]urea is sourced from PubChem (CID 155378291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).