1-propan-2-yl-3-(6-propan-2-ylquinolin-3-yl)urea

C16H21N3O — CID 178103528

IUPAC1-propan-2-yl-3-(6-propan-2-ylquinolin-3-yl)urea
SMILESCC(C)NC(=O)Nc1cnc2ccc(C(C)C)cc2c1
InChIInChI=1S/C16H21N3O/c1-10(2)12-5-6-15-13(7-12)8-14(9-17-15)19-16(20)18-11(3)4/h5-11H,1-4H3,(H2,18,19,20)
InChIKeyGCHNYAVVVDWKCS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.89
Rot. Bonds3

About 1-propan-2-yl-3-(6-propan-2-ylquinolin-3-yl)urea

1-propan-2-yl-3-(6-propan-2-ylquinolin-3-yl)urea (PubChem CID 178103528) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-propan-2-yl-3-(6-propan-2-ylquinolin-3-yl)urea.

Molecular Properties

Compound Name1-propan-2-yl-3-(6-propan-2-ylquinolin-3-yl)urea
PubChem CID178103528
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-propan-2-yl-3-(6-propan-2-ylquinolin-3-yl)urea
SMILESCC(C)NC(=O)Nc1cnc2ccc(C(C)C)cc2c1
InChIInChI=1S/C16H21N3O/c1-10(2)12-5-6-15-13(7-12)8-14(9-17-15)19-16(20)18-11(3)4/h5-11H,1-4H3,(H2,18,19,20)
InChIKeyGCHNYAVVVDWKCS-UHFFFAOYSA-N
XLogP3.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-propan-2-ylquinoline-3-carboxylic acid
CID 82113674
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
CID 78917504
molecular hydrogen;1-propan-2-yl-3-(2-propan-2-ylquinolin-6-yl)urea
CID 166479432
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686
(2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid
CID 107566857
6-propan-2-ylquinazoline-2-carboxylic acid
CID 178019149
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433
1-(7-bromoquinazolin-2-yl)-3-propan-2-ylurea
CID 156770203
1-[6-(3,5-dimethylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113017108
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
(6-methoxyquinolin-3-yl)carbamic acid
CID 22326813

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(6-propan-2-ylquinolin-3-yl)urea?
The IUPAC name of 1-propan-2-yl-3-(6-propan-2-ylquinolin-3-yl)urea (CID 178103528) is 1-propan-2-yl-3-(6-propan-2-ylquinolin-3-yl)urea.
What is the SMILES notation for 1-propan-2-yl-3-(6-propan-2-ylquinolin-3-yl)urea?
The canonical SMILES for 1-propan-2-yl-3-(6-propan-2-ylquinolin-3-yl)urea is CC(C)NC(=O)Nc1cnc2ccc(C(C)C)cc2c1.
What is the InChIKey of 1-propan-2-yl-3-(6-propan-2-ylquinolin-3-yl)urea?
The InChIKey is GCHNYAVVVDWKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10(2)12-5-6-15-13(7-12)8-14(9-17-15)19-16(20)18-11(3)4/h5-11H,1-4H3,(H2,18,19,20).
What are the key properties of 1-propan-2-yl-3-(6-propan-2-ylquinolin-3-yl)urea?
1-propan-2-yl-3-(6-propan-2-ylquinolin-3-yl)urea has a molecular weight of 271.36 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(6-propan-2-ylquinolin-3-yl)urea is sourced from PubChem (CID 178103528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).