1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea

C22H25N5O2 — CID 90156802

IUPAC1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
SMILESCOc1nn(-c2ccccc2)c(NC(=O)NC2CCN(C)c3ccccc32)c1C
InChIInChI=1S/C22H25N5O2/c1-15-20(27(25-21(15)29-3)16-9-5-4-6-10-16)24-22(28)23-18-13-14-26(2)19-12-8-7-11-17(18)19/h4-12,18H,13-14H2,1-3H3,(H2,23,24,28)
InChIKeyPHCWLGLEVJVYEK-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.89
Rot. Bonds4

About 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea

1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea (PubChem CID 90156802) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea.

Molecular Properties

Compound Name1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
PubChem CID90156802
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
SMILESCOc1nn(-c2ccccc2)c(NC(=O)NC2CCN(C)c3ccccc32)c1C
InChIInChI=1S/C22H25N5O2/c1-15-20(27(25-21(15)29-3)16-9-5-4-6-10-16)24-22(28)23-18-13-14-26(2)19-12-8-7-11-17(18)19/h4-12,18H,13-14H2,1-3H3,(H2,23,24,28)
InChIKeyPHCWLGLEVJVYEK-UHFFFAOYSA-N
XLogP3.89
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea?
The IUPAC name of 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea (CID 90156802) is 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea.
What is the SMILES notation for 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea?
The canonical SMILES for 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea is COc1nn(-c2ccccc2)c(NC(=O)NC2CCN(C)c3ccccc32)c1C.
What is the InChIKey of 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea?
The InChIKey is PHCWLGLEVJVYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-20(27(25-21(15)29-3)16-9-5-4-6-10-16)24-22(28)23-18-13-14-26(2)19-12-8-7-11-17(18)19/h4-12,18H,13-14H2,1-3H3,(H2,23,24,28).
What are the key properties of 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea?
1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea has a molecular weight of 391.48 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea is sourced from PubChem (CID 90156802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).