1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea

C20H29N5O2 — CID 23607887

IUPAC1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea
SMILESCCN1CCN(CCCNC(=O)Nc2c[nH]c3ccc(C)cc3c2=O)CC1
InChIInChI=1S/C20H29N5O2/c1-3-24-9-11-25(12-10-24)8-4-7-21-20(27)23-18-14-22-17-6-5-15(2)13-16(17)19(18)26/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,22,26)(H2,21,23,27)
InChIKeyLAQVIIZSGKXTMQ-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.99
Rot. Bonds6

About 1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea

1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea (PubChem CID 23607887) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea.

Molecular Properties

Compound Name1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea
PubChem CID23607887
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea
SMILESCCN1CCN(CCCNC(=O)Nc2c[nH]c3ccc(C)cc3c2=O)CC1
InChIInChI=1S/C20H29N5O2/c1-3-24-9-11-25(12-10-24)8-4-7-21-20(27)23-18-14-22-17-6-5-15(2)13-16(17)19(18)26/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,22,26)(H2,21,23,27)
InChIKeyLAQVIIZSGKXTMQ-UHFFFAOYSA-N
XLogP1.99
TPSA80.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea
CID 23607891
1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea
CID 92715399
1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea
CID 23609031
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 92667632
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 60553495
1-(6-methoxy-4-oxo-1H-1,5-naphthyridin-3-yl)-3-(2-morpholin-4-ylethyl)urea
CID 53468492
1-(2-ethylphenyl)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]urea
CID 56790767
1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 72861388
(2S)-2-(2,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 93486474
1-(2-methyl-1-oxoisoquinolin-4-yl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22334724
(2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 30386789
1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea
CID 7615961

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea?
The IUPAC name of 1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea (CID 23607887) is 1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea.
What is the SMILES notation for 1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea?
The canonical SMILES for 1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea is CCN1CCN(CCCNC(=O)Nc2c[nH]c3ccc(C)cc3c2=O)CC1.
What is the InChIKey of 1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea?
The InChIKey is LAQVIIZSGKXTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-3-24-9-11-25(12-10-24)8-4-7-21-20(27)23-18-14-22-17-6-5-15(2)13-16(17)19(18)26/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,22,26)(H2,21,23,27).
What are the key properties of 1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea?
1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea has a molecular weight of 371.49 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea is sourced from PubChem (CID 23607887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).