N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide

C17H20N2O3 — CID 111697774

IUPACN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide
SMILESO=C(NCC(O)COCC1CC1)c1ccnc2ccccc12
InChIInChI=1S/C17H20N2O3/c20-13(11-22-10-12-5-6-12)9-19-17(21)15-7-8-18-16-4-2-1-3-14(15)16/h1-4,7-8,12-13,20H,5-6,9-11H2,(H,19,21)
InChIKeyNMKXQHPETHROAJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.75
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide

N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide (PubChem CID 111697774) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide
PubChem CID111697774
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide
SMILESO=C(NCC(O)COCC1CC1)c1ccnc2ccccc12
InChIInChI=1S/C17H20N2O3/c20-13(11-22-10-12-5-6-12)9-19-17(21)15-7-8-18-16-4-2-1-3-14(15)16/h1-4,7-8,12-13,20H,5-6,9-11H2,(H,19,21)
InChIKeyNMKXQHPETHROAJ-UHFFFAOYSA-N
XLogP1.75
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide
CID 111697647
N-[(4-bromocyclohexyl)methyl]quinoline-4-carboxamide
CID 106134702
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide
CID 111663006
2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide
CID 97319425
N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 97000794
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-phenylpyrazole-3-carboxamide
CID 111662871
N-(2-bromobutyl)quinoline-4-carboxamide
CID 113492901
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
CID 111662905
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(naphthalen-1-ylmethyl)urea
CID 110911378
3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid
CID 103152989
N-(2-bromopentyl)quinoline-4-carboxamide
CID 113496524

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide (CID 111697774) is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide is O=C(NCC(O)COCC1CC1)c1ccnc2ccccc12.
What is the InChIKey of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide?
The InChIKey is NMKXQHPETHROAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-13(11-22-10-12-5-6-12)9-19-17(21)15-7-8-18-16-4-2-1-3-14(15)16/h1-4,7-8,12-13,20H,5-6,9-11H2,(H,19,21).
What are the key properties of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide?
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide is sourced from PubChem (CID 111697774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).