3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide

C16H22N4O3 — CID 154773989

IUPAC3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide
SMILESNC(=O)NCCC(=O)NCCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H22N4O3/c17-16(23)19-9-7-14(21)18-10-8-15(22)20-11-3-5-12-4-1-2-6-13(12)20/h1-2,4,6H,3,5,7-11H2,(H,18,21)(H3,17,19,23)
InChIKeyAIOFSIBKIAKPRE-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.53
Rot. Bonds6

About 3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide

3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide (PubChem CID 154773989) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide
PubChem CID154773989
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide
SMILESNC(=O)NCCC(=O)NCCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H22N4O3/c17-16(23)19-9-7-14(21)18-10-8-15(22)20-11-3-5-12-4-1-2-6-13(12)20/h1-2,4,6H,3,5,7-11H2,(H,18,21)(H3,17,19,23)
InChIKeyAIOFSIBKIAKPRE-UHFFFAOYSA-N
XLogP0.53
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one
CID 109024285
7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide
CID 119747288
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride
CID 119747287
3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109034965
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 109023365
[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea
CID 60598985
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide?
The IUPAC name of 3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide (CID 154773989) is 3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide is NC(=O)NCCC(=O)NCCC(=O)N1CCCc2ccccc21.
What is the InChIKey of 3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide?
The InChIKey is AIOFSIBKIAKPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c17-16(23)19-9-7-14(21)18-10-8-15(22)20-11-3-5-12-4-1-2-6-13(12)20/h1-2,4,6H,3,5,7-11H2,(H,18,21)(H3,17,19,23).
What are the key properties of 3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide?
3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide has a molecular weight of 318.38 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide is sourced from PubChem (CID 154773989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).