N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

C15H22N2O3 — CID 106160965

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCOCC(CCO)NC(=O)C1CNc2ccccc2C1
InChIInChI=1S/C15H22N2O3/c1-20-10-13(6-7-18)17-15(19)12-8-11-4-2-3-5-14(11)16-9-12/h2-5,12-13,16,18H,6-10H2,1H3,(H,17,19)
InChIKeyBYJKHUMSAKRJGB-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.78
Rot. Bonds6

About N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106160965) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106160965
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCOCC(CCO)NC(=O)C1CNc2ccccc2C1
InChIInChI=1S/C15H22N2O3/c1-20-10-13(6-7-18)17-15(19)12-8-11-4-2-3-5-14(11)16-9-12/h2-5,12-13,16,18H,6-10H2,1H3,(H,17,19)
InChIKeyBYJKHUMSAKRJGB-UHFFFAOYSA-N
XLogP0.78
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 107219186
N-(4-hydroxy-1-methoxybutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 103850894
N-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901728
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103799339
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901236
N-(3-hydroxypentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901745
2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid
CID 106901670
N-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901441
N-(4-chloro-1-methoxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106155714
3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol
CID 103785498
N-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567149

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106160965) is N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is COCC(CCO)NC(=O)C1CNc2ccccc2C1.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is BYJKHUMSAKRJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-10-13(6-7-18)17-15(19)12-8-11-4-2-3-5-14(11)16-9-12/h2-5,12-13,16,18H,6-10H2,1H3,(H,17,19).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106160965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).