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

C22H29N3O2 — CID 112832137

IUPAC1-(2-adamantyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
SMILESCC(NC(=O)NC1C2CC3CC(C2)CC1C3)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H29N3O2/c1-12(15-2-4-19-16(11-15)3-5-20(26)24-19)23-22(27)25-21-17-7-13-6-14(9-17)10-18(21)8-13/h2,4,11-14,17-18,21H,3,5-10H2,1H3,(H,24,26)(H2,23,25,27)
InChIKeyPBCQKWVBAIEMOQ-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.76
Rot. Bonds3

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

1-(2-adamantyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea (PubChem CID 112832137) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-adamantyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
PubChem CID112832137
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-(2-adamantyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
SMILESCC(NC(=O)NC1C2CC3CC(C2)CC1C3)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H29N3O2/c1-12(15-2-4-19-16(11-15)3-5-20(26)24-19)23-22(27)25-21-17-7-13-6-14(9-17)10-18(21)8-13/h2,4,11-14,17-18,21H,3,5-10H2,1H3,(H,24,26)(H2,23,25,27)
InChIKeyPBCQKWVBAIEMOQ-UHFFFAOYSA-N
XLogP3.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-diethyl-3-methoxycyclobutyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 136515586
1-(2-adamantyl)-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 112817898
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
3-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119729792
3-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopentane-1-carboxamide
CID 119729790
(3R)-3-cyclopropyl-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 97314500
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119729826
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
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperidine-2-carboxamide
CID 119292758
1-(2-fluoro-6-methylphenyl)-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 124575118
(Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide
CID 94827781

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea?
The IUPAC name of 1-(2-adamantyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea (CID 112832137) is 1-(2-adamantyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea.
What is the SMILES notation for 1-(2-adamantyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea?
The canonical SMILES for 1-(2-adamantyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea is CC(NC(=O)NC1C2CC3CC(C2)CC1C3)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 1-(2-adamantyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea?
The InChIKey is PBCQKWVBAIEMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-12(15-2-4-19-16(11-15)3-5-20(26)24-19)23-22(27)25-21-17-7-13-6-14(9-17)10-18(21)8-13/h2,4,11-14,17-18,21H,3,5-10H2,1H3,(H,24,26)(H2,23,25,27).
What are the key properties of 1-(2-adamantyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea?
1-(2-adamantyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea has a molecular weight of 367.49 g/mol, XLogP of 3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea is sourced from PubChem (CID 112832137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).