1-[(1-cyclopropylcyclobutyl)methyl]-3-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea

C22H29N3O2 — CID 127927248

IUPAC1-[(1-cyclopropylcyclobutyl)methyl]-3-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea
SMILESO=C(NCC1(C2CC2)CCC1)Nc1ccc2c(c1)CCC(=O)N2CC1CC1
InChIInChI=1S/C22H29N3O2/c26-20-9-4-16-12-18(7-8-19(16)25(20)13-15-2-3-15)24-21(27)23-14-22(10-1-11-22)17-5-6-17/h7-8,12,15,17H,1-6,9-11,13-14H2,(H2,23,24,27)
InChIKeyIJBIVGRJXWPHPY-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.08
Rot. Bonds6

About 1-[(1-cyclopropylcyclobutyl)methyl]-3-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea

1-[(1-cyclopropylcyclobutyl)methyl]-3-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea (PubChem CID 127927248) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[(1-cyclopropylcyclobutyl)methyl]-3-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea.

Molecular Properties

Compound Name1-[(1-cyclopropylcyclobutyl)methyl]-3-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea
PubChem CID127927248
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[(1-cyclopropylcyclobutyl)methyl]-3-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea
SMILESO=C(NCC1(C2CC2)CCC1)Nc1ccc2c(c1)CCC(=O)N2CC1CC1
InChIInChI=1S/C22H29N3O2/c26-20-9-4-16-12-18(7-8-19(16)25(20)13-15-2-3-15)24-21(27)23-14-22(10-1-11-22)17-5-6-17/h7-8,12,15,17H,1-6,9-11,13-14H2,(H2,23,24,27)
InChIKeyIJBIVGRJXWPHPY-UHFFFAOYSA-N
XLogP4.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylcyclobutyl)methyl]-3-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea?
The IUPAC name of 1-[(1-cyclopropylcyclobutyl)methyl]-3-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea (CID 127927248) is 1-[(1-cyclopropylcyclobutyl)methyl]-3-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea.
What is the SMILES notation for 1-[(1-cyclopropylcyclobutyl)methyl]-3-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea?
The canonical SMILES for 1-[(1-cyclopropylcyclobutyl)methyl]-3-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea is O=C(NCC1(C2CC2)CCC1)Nc1ccc2c(c1)CCC(=O)N2CC1CC1.
What is the InChIKey of 1-[(1-cyclopropylcyclobutyl)methyl]-3-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea?
The InChIKey is IJBIVGRJXWPHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c26-20-9-4-16-12-18(7-8-19(16)25(20)13-15-2-3-15)24-21(27)23-14-22(10-1-11-22)17-5-6-17/h7-8,12,15,17H,1-6,9-11,13-14H2,(H2,23,24,27).
What are the key properties of 1-[(1-cyclopropylcyclobutyl)methyl]-3-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea?
1-[(1-cyclopropylcyclobutyl)methyl]-3-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea has a molecular weight of 367.49 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylcyclobutyl)methyl]-3-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea is sourced from PubChem (CID 127927248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).