N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

C14H20N2O4 — CID 107852782

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESO=C(NC(CO)(CO)CO)c1cccc2c1CCCN2
InChIInChI=1S/C14H20N2O4/c17-7-14(8-18,9-19)16-13(20)11-3-1-5-12-10(11)4-2-6-15-12/h1,3,5,15,17-19H,2,4,6-9H2,(H,16,20)
InChIKeyFHLQDVGTWJTLQO-UHFFFAOYSA-N
MW280.32 g/mol
LogP-0.51
Rot. Bonds5

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 107852782) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID107852782
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESO=C(NC(CO)(CO)CO)c1cccc2c1CCCN2
InChIInChI=1S/C14H20N2O4/c17-7-14(8-18,9-19)16-13(20)11-3-1-5-12-10(11)4-2-6-15-12/h1,3,5,15,17-19H,2,4,6-9H2,(H,16,20)
InChIKeyFHLQDVGTWJTLQO-UHFFFAOYSA-N
XLogP-0.51
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 113303798
N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406
N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850225
N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63837289
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127025
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 106336780
N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 104954916
N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849365
(2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid
CID 103869747

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 107852782) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is O=C(NC(CO)(CO)CO)c1cccc2c1CCCN2.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is FHLQDVGTWJTLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-7-14(8-18,9-19)16-13(20)11-3-1-5-12-10(11)4-2-6-15-12/h1,3,5,15,17-19H,2,4,6-9H2,(H,16,20).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 280.32 g/mol, XLogP of -0.51, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 107852782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).