1-(2,2-diethyl-3-methoxycyclobutyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea

C21H31N3O3 — CID 136515586

IUPAC1-(2,2-diethyl-3-methoxycyclobutyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
SMILESCCC1(CC)C(NC(=O)NC(C)c2ccc3c(c2)CCC(=O)N3)CC1OC
InChIInChI=1S/C21H31N3O3/c1-5-21(6-2)17(12-18(21)27-4)24-20(26)22-13(3)14-7-9-16-15(11-14)8-10-19(25)23-16/h7,9,11,13,17-18H,5-6,8,10,12H2,1-4H3,(H,23,25)(H2,22,24,26)
InChIKeyPUXTWHOCSVRGPW-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.53
Rot. Bonds6

About 1-(2,2-diethyl-3-methoxycyclobutyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea

1-(2,2-diethyl-3-methoxycyclobutyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea (PubChem CID 136515586) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(2,2-diethyl-3-methoxycyclobutyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,2-diethyl-3-methoxycyclobutyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
PubChem CID136515586
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-(2,2-diethyl-3-methoxycyclobutyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
SMILESCCC1(CC)C(NC(=O)NC(C)c2ccc3c(c2)CCC(=O)N3)CC1OC
InChIInChI=1S/C21H31N3O3/c1-5-21(6-2)17(12-18(21)27-4)24-20(26)22-13(3)14-7-9-16-15(11-14)8-10-19(25)23-16/h7,9,11,13,17-18H,5-6,8,10,12H2,1-4H3,(H,23,25)(H2,22,24,26)
InChIKeyPUXTWHOCSVRGPW-UHFFFAOYSA-N
XLogP3.53
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-diethyl-3-methoxycyclobutyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea with MolForge

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Related Compounds

1-(2-adamantyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 112832137
(Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide
CID 94827781
2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 51089323
2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate
CID 94647057
(3R)-3-cyclopropyl-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 97314500
2-(3,5-difluorophenyl)-2-methoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 154845292
2-(2-methoxyethylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide;hydrochloride
CID 119729824
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide
CID 60516922
1-(furan-3-ylmethyl)-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94120743
1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 94152809
1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94077981

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyl-3-methoxycyclobutyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea?
The IUPAC name of 1-(2,2-diethyl-3-methoxycyclobutyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea (CID 136515586) is 1-(2,2-diethyl-3-methoxycyclobutyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea.
What is the SMILES notation for 1-(2,2-diethyl-3-methoxycyclobutyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea?
The canonical SMILES for 1-(2,2-diethyl-3-methoxycyclobutyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea is CCC1(CC)C(NC(=O)NC(C)c2ccc3c(c2)CCC(=O)N3)CC1OC.
What is the InChIKey of 1-(2,2-diethyl-3-methoxycyclobutyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea?
The InChIKey is PUXTWHOCSVRGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-5-21(6-2)17(12-18(21)27-4)24-20(26)22-13(3)14-7-9-16-15(11-14)8-10-19(25)23-16/h7,9,11,13,17-18H,5-6,8,10,12H2,1-4H3,(H,23,25)(H2,22,24,26).
What are the key properties of 1-(2,2-diethyl-3-methoxycyclobutyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea?
1-(2,2-diethyl-3-methoxycyclobutyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea has a molecular weight of 373.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyl-3-methoxycyclobutyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea is sourced from PubChem (CID 136515586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).