1-(8-methoxyquinolin-5-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea

C20H25N5O2 — CID 129397300

IUPAC1-(8-methoxyquinolin-5-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
SMILESCOc1ccc(NC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c2cccnc12
InChIInChI=1S/C20H25N5O2/c1-12(11-16-13(2)24-25(4)14(16)3)22-20(26)23-17-8-9-18(27-5)19-15(17)7-6-10-21-19/h6-10,12H,11H2,1-5H3,(H2,22,23,26)/t12-/m0/s1
InChIKeyMKRHJJUFIKEPAJ-LBPRGKRZSA-N
MW367.45 g/mol
LogP3.35
Rot. Bonds5

About 1-(8-methoxyquinolin-5-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea

1-(8-methoxyquinolin-5-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea (PubChem CID 129397300) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(8-methoxyquinolin-5-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(8-methoxyquinolin-5-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
PubChem CID129397300
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name1-(8-methoxyquinolin-5-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
SMILESCOc1ccc(NC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c2cccnc12
InChIInChI=1S/C20H25N5O2/c1-12(11-16-13(2)24-25(4)14(16)3)22-20(26)23-17-8-9-18(27-5)19-15(17)7-6-10-21-19/h6-10,12H,11H2,1-5H3,(H2,22,23,26)/t12-/m0/s1
InChIKeyMKRHJJUFIKEPAJ-LBPRGKRZSA-N
XLogP3.35
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(8-methoxyquinolin-5-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea with MolForge

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Related Compounds

1-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 99856964
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
N-(8-methoxyquinolin-5-yl)-3-methylbutanamide
CID 26823099
8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine
CID 133394542
1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 71992274
(2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide
CID 26823081
N-(8-methoxyquinolin-5-yl)-2-propan-2-ylsulfonylacetamide
CID 86835306
1-[3-(difluoromethyl)phenyl]-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 97318672
1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 75505095
(2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 35673294
1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 97001695
4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122078078

Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxyquinolin-5-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The IUPAC name of 1-(8-methoxyquinolin-5-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea (CID 129397300) is 1-(8-methoxyquinolin-5-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(8-methoxyquinolin-5-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The canonical SMILES for 1-(8-methoxyquinolin-5-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea is COc1ccc(NC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c2cccnc12.
What is the InChIKey of 1-(8-methoxyquinolin-5-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The InChIKey is MKRHJJUFIKEPAJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-12(11-16-13(2)24-25(4)14(16)3)22-20(26)23-17-8-9-18(27-5)19-15(17)7-6-10-21-19/h6-10,12H,11H2,1-5H3,(H2,22,23,26)/t12-/m0/s1.
What are the key properties of 1-(8-methoxyquinolin-5-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
1-(8-methoxyquinolin-5-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea has a molecular weight of 367.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxyquinolin-5-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea is sourced from PubChem (CID 129397300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).