N-[[1-(2-methylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide

C17H26N4O — CID 170439397

IUPACN-[[1-(2-methylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide
SMILESCC(C)CN1CC(CNC(=O)N2CCNc3ccccc32)C1
InChIInChI=1S/C17H26N4O/c1-13(2)10-20-11-14(12-20)9-19-17(22)21-8-7-18-15-5-3-4-6-16(15)21/h3-6,13-14,18H,7-12H2,1-2H3,(H,19,22)
InChIKeyUBFFMWHDDYIPJP-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.22
Rot. Bonds4

About N-[[1-(2-methylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide

N-[[1-(2-methylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide (PubChem CID 170439397) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide
PubChem CID170439397
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[[1-(2-methylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide
SMILESCC(C)CN1CC(CNC(=O)N2CCNc3ccccc32)C1
InChIInChI=1S/C17H26N4O/c1-13(2)10-20-11-14(12-20)9-19-17(22)21-8-7-18-15-5-3-4-6-16(15)21/h3-6,13-14,18H,7-12H2,1-2H3,(H,19,22)
InChIKeyUBFFMWHDDYIPJP-UHFFFAOYSA-N
XLogP2.22
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide
CID 170439341
4-methyl-1-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)pentan-1-one
CID 64851404
N-(3-methylbutyl)-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide
CID 64851827
3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 95226078
2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide
CID 95199115
1-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
CID 12858798
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91774516
N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 95214370
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387
1-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea
CID 56743428
N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide
CID 67190094
4-ethyl-2,3-dihydro-1H-quinoxaline
CID 3056887

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide?
The IUPAC name of N-[[1-(2-methylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide (CID 170439397) is N-[[1-(2-methylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for N-[[1-(2-methylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide?
The canonical SMILES for N-[[1-(2-methylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide is CC(C)CN1CC(CNC(=O)N2CCNc3ccccc32)C1.
What is the InChIKey of N-[[1-(2-methylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide?
The InChIKey is UBFFMWHDDYIPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13(2)10-20-11-14(12-20)9-19-17(22)21-8-7-18-15-5-3-4-6-16(15)21/h3-6,13-14,18H,7-12H2,1-2H3,(H,19,22).
What are the key properties of N-[[1-(2-methylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide?
N-[[1-(2-methylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 170439397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).