N-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide

C20H21N3O2 — CID 97221268

IUPACN-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide
SMILESC[C@@H](CO)NC(=O)c1ccc(NCc2cccc3cccnc23)cc1
InChIInChI=1S/C20H21N3O2/c1-14(13-24)23-20(25)16-7-9-18(10-8-16)22-12-17-5-2-4-15-6-3-11-21-19(15)17/h2-11,14,22,24H,12-13H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyUBCXPXDKSGAVAM-AWEZNQCLSA-N
MW335.41 g/mol
LogP2.96
Rot. Bonds6

About N-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide

N-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide (PubChem CID 97221268) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide
PubChem CID97221268
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide
SMILESC[C@@H](CO)NC(=O)c1ccc(NCc2cccc3cccnc23)cc1
InChIInChI=1S/C20H21N3O2/c1-14(13-24)23-20(25)16-7-9-18(10-8-16)22-12-17-5-2-4-15-6-3-11-21-19(15)17/h2-11,14,22,24H,12-13H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyUBCXPXDKSGAVAM-AWEZNQCLSA-N
XLogP2.96
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(quinolin-8-ylmethylamino)benzoic acid
CID 43321603
1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
CID 110909300
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 95765057
N-(quinolin-8-ylmethyl)aniline
CID 28610045
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide
CID 111970105
1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
CID 47470602
1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine
CID 62902643
2-methyl-3-(quinolin-8-ylmethylamino)butan-1-ol
CID 115644489
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid
CID 147944302

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide (CID 97221268) is N-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide is C[C@@H](CO)NC(=O)c1ccc(NCc2cccc3cccnc23)cc1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide?
The InChIKey is UBCXPXDKSGAVAM-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(13-24)23-20(25)16-7-9-18(10-8-16)22-12-17-5-2-4-15-6-3-11-21-19(15)17/h2-11,14,22,24H,12-13H2,1H3,(H,23,25)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide?
N-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide has a molecular weight of 335.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide is sourced from PubChem (CID 97221268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).