N-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]quinoxalin-2-amine

C21H23N3O2 — CID 97018034

IUPACN-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]quinoxalin-2-amine
SMILESc1cc(COC[C@@H]2CCCCO2)cc(Nc2cnc3ccccc3n2)c1
InChIInChI=1S/C21H23N3O2/c1-2-10-20-19(9-1)22-13-21(24-20)23-17-7-5-6-16(12-17)14-25-15-18-8-3-4-11-26-18/h1-2,5-7,9-10,12-13,18H,3-4,8,11,14-15H2,(H,23,24)/t18-/m0/s1
InChIKeyZYVPWLSHMVUTCK-SFHVURJKSA-N
MW349.43 g/mol
LogP4.46
Rot. Bonds6

About N-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]quinoxalin-2-amine

N-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]quinoxalin-2-amine (PubChem CID 97018034) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]quinoxalin-2-amine
PubChem CID97018034
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]quinoxalin-2-amine
SMILESc1cc(COC[C@@H]2CCCCO2)cc(Nc2cnc3ccccc3n2)c1
InChIInChI=1S/C21H23N3O2/c1-2-10-20-19(9-1)22-13-21(24-20)23-17-7-5-6-16(12-17)14-25-15-18-8-3-4-11-26-18/h1-2,5-7,9-10,12-13,18H,3-4,8,11,14-15H2,(H,23,24)/t18-/m0/s1
InChIKeyZYVPWLSHMVUTCK-SFHVURJKSA-N
XLogP4.46
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]-1,3-benzoxazol-2-amine
CID 97017967
N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 94436252
N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide
CID 96562652
N-[3-(aminomethyl)phenyl]quinoxalin-2-amine
CID 63767788
(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide
CID 94111035
1-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-3-propan-2-ylthiourea
CID 94587170
N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 97011567
N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 71935210
[4-(oxan-2-ylmethoxymethyl)-2-pyridinyl]hydrazine
CID 62463960
N-[[(2R)-oxolan-2-yl]methyl]quinoxalin-2-amine
CID 33370324
2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 55932192
N-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 71893064

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]quinoxalin-2-amine?
The IUPAC name of N-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]quinoxalin-2-amine (CID 97018034) is N-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]quinoxalin-2-amine.
What is the SMILES notation for N-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]quinoxalin-2-amine?
The canonical SMILES for N-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]quinoxalin-2-amine is c1cc(COC[C@@H]2CCCCO2)cc(Nc2cnc3ccccc3n2)c1.
What is the InChIKey of N-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]quinoxalin-2-amine?
The InChIKey is ZYVPWLSHMVUTCK-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-10-20-19(9-1)22-13-21(24-20)23-17-7-5-6-16(12-17)14-25-15-18-8-3-4-11-26-18/h1-2,5-7,9-10,12-13,18H,3-4,8,11,14-15H2,(H,23,24)/t18-/m0/s1.
What are the key properties of N-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]quinoxalin-2-amine?
N-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]quinoxalin-2-amine has a molecular weight of 349.43 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]quinoxalin-2-amine is sourced from PubChem (CID 97018034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).