1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea

C19H27N5O3 — CID 23609031

IUPAC1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea
SMILESCOc1cccc2c(=O)c(NC(=O)NCCCN3CCN(C)CC3)c[nH]c12
InChIInChI=1S/C19H27N5O3/c1-23-9-11-24(12-10-23)8-4-7-20-19(26)22-15-13-21-17-14(18(15)25)5-3-6-16(17)27-2/h3,5-6,13H,4,7-12H2,1-2H3,(H,21,25)(H2,20,22,26)
InChIKeyIDLBYZIXDPGKGB-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.30
Rot. Bonds6

About 1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea

1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea (PubChem CID 23609031) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea
PubChem CID23609031
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea
SMILESCOc1cccc2c(=O)c(NC(=O)NCCCN3CCN(C)CC3)c[nH]c12
InChIInChI=1S/C19H27N5O3/c1-23-9-11-24(12-10-23)8-4-7-20-19(26)22-15-13-21-17-14(18(15)25)5-3-6-16(17)27-2/h3,5-6,13H,4,7-12H2,1-2H3,(H,21,25)(H2,20,22,26)
InChIKeyIDLBYZIXDPGKGB-UHFFFAOYSA-N
XLogP1.30
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea
CID 23607887
1-(2-bromophenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 23609325
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
CID 20924541
2-methylsulfonyl-N-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]acetamide
CID 155965638
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 55696937
2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide
CID 110443295
8-methoxy-3-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one
CID 91640889
2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 43885146
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 93486249
1-(2-methyl-1-oxoisoquinolin-4-yl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22334724
1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91276351

Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea?
The IUPAC name of 1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea (CID 23609031) is 1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea.
What is the SMILES notation for 1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea?
The canonical SMILES for 1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea is COc1cccc2c(=O)c(NC(=O)NCCCN3CCN(C)CC3)c[nH]c12.
What is the InChIKey of 1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea?
The InChIKey is IDLBYZIXDPGKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-23-9-11-24(12-10-23)8-4-7-20-19(26)22-15-13-21-17-14(18(15)25)5-3-6-16(17)27-2/h3,5-6,13H,4,7-12H2,1-2H3,(H,21,25)(H2,20,22,26).
What are the key properties of 1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea?
1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea has a molecular weight of 373.46 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea is sourced from PubChem (CID 23609031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).