1-(3-fluorophenyl)-3-[2-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]urea

C18H21FN4O — CID 91244941

IUPAC1-(3-fluorophenyl)-3-[2-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]urea
SMILESCN1CCCc2ccc(CCNC(=O)Nc3cccc(F)c3)nc21
InChIInChI=1S/C18H21FN4O/c1-23-11-3-4-13-7-8-15(21-17(13)23)9-10-20-18(24)22-16-6-2-5-14(19)12-16/h2,5-8,12H,3-4,9-11H2,1H3,(H2,20,22,24)
InChIKeyQSUXQRLQQBMSPX-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.97
Rot. Bonds4

About 1-(3-fluorophenyl)-3-[2-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]urea

1-(3-fluorophenyl)-3-[2-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]urea (PubChem CID 91244941) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[2-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[2-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]urea
PubChem CID91244941
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name1-(3-fluorophenyl)-3-[2-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]urea
SMILESCN1CCCc2ccc(CCNC(=O)Nc3cccc(F)c3)nc21
InChIInChI=1S/C18H21FN4O/c1-23-11-3-4-13-7-8-15(21-17(13)23)9-10-20-18(24)22-16-6-2-5-14(19)12-16/h2,5-8,12H,3-4,9-11H2,1H3,(H2,20,22,24)
InChIKeyQSUXQRLQQBMSPX-UHFFFAOYSA-N
XLogP2.97
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluorophenyl)-3-[2-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]urea with MolForge

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Related Compounds

3-methylpentan-3-yl N-[6-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-pyridinyl]carbamate
CID 90690209
1-(3-fluorophenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea
CID 54022788
1-(3-methoxyphenyl)-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379224
N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594
1-(4-fluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 70887059
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3-fluorophenyl)urea
CID 55696768
1-[2-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea
CID 68524336
1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231550
N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
CID 47192808
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-fluorophenyl)oxamide
CID 7586378
1-(5-fluoro-2-methylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 70887060
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
CID 44755798

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[2-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[2-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]urea (CID 91244941) is 1-(3-fluorophenyl)-3-[2-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[2-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[2-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]urea is CN1CCCc2ccc(CCNC(=O)Nc3cccc(F)c3)nc21.
What is the InChIKey of 1-(3-fluorophenyl)-3-[2-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]urea?
The InChIKey is QSUXQRLQQBMSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-23-11-3-4-13-7-8-15(21-17(13)23)9-10-20-18(24)22-16-6-2-5-14(19)12-16/h2,5-8,12H,3-4,9-11H2,1H3,(H2,20,22,24).
What are the key properties of 1-(3-fluorophenyl)-3-[2-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]urea?
1-(3-fluorophenyl)-3-[2-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]urea has a molecular weight of 328.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[2-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]urea is sourced from PubChem (CID 91244941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).