N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxy-5-quinolin-6-ylbenzamide

C30H29N3O3 — CID 58831865

IUPACN-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxy-5-quinolin-6-ylbenzamide
SMILESCCCOc1ccc(-c2ccc3ncccc3c2)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12
InChIInChI=1S/C30H29N3O3/c1-2-14-36-29-12-10-21(20-9-11-27-22(15-20)6-5-13-31-27)17-26(29)30(35)33-24(19-34)16-23-18-32-28-8-4-3-7-25(23)28/h3-13,15,17-18,24,32,34H,2,14,16,19H2,1H3,(H,33,35)/t24-/m1/s1
InChIKeyVIRPOCCAYCWQKX-XMMPIXPASA-N
MW479.58 g/mol
LogP5.51
Rot. Bonds9

About N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxy-5-quinolin-6-ylbenzamide

N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxy-5-quinolin-6-ylbenzamide (PubChem CID 58831865) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxy-5-quinolin-6-ylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxy-5-quinolin-6-ylbenzamide
PubChem CID58831865
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC NameN-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxy-5-quinolin-6-ylbenzamide
SMILESCCCOc1ccc(-c2ccc3ncccc3c2)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12
InChIInChI=1S/C30H29N3O3/c1-2-14-36-29-12-10-21(20-9-11-27-22(15-20)6-5-13-31-27)17-26(29)30(35)33-24(19-34)16-23-18-32-28-8-4-3-7-25(23)28/h3-13,15,17-18,24,32,34H,2,14,16,19H2,1H3,(H,33,35)/t24-/m1/s1
InChIKeyVIRPOCCAYCWQKX-XMMPIXPASA-N
XLogP5.51
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(hydroxymethyl)phenyl]-2-propoxybenzamide
CID 58832033
4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-4-propoxyphenyl]benzoic acid;molecular hydrogen
CID 162055148
2-ethoxy-5-(3-fluoro-4-propoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 58832069
5-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
CID 58832137
5-(6-fluoro-5-methyl-3-pyridinyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
CID 71204912
N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-(3-methylsulfonylphenyl)-2-propoxybenzamide
CID 71206131
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(methanesulfonamido)phenyl]-2-propoxybenzamide
CID 58831906
5-(1-benzothiophen-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
CID 58832046
5-(2,3-difluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
CID 58832141
5-(3-acetylphenyl)-2-ethoxy-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 71215129
5-(5-ethoxy-2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
CID 58832154
5-(2-fluoro-5-methoxyphenyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
CID 159935743

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxy-5-quinolin-6-ylbenzamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxy-5-quinolin-6-ylbenzamide (CID 58831865) is N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxy-5-quinolin-6-ylbenzamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxy-5-quinolin-6-ylbenzamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxy-5-quinolin-6-ylbenzamide is CCCOc1ccc(-c2ccc3ncccc3c2)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxy-5-quinolin-6-ylbenzamide?
The InChIKey is VIRPOCCAYCWQKX-XMMPIXPASA-N. The full InChI is InChI=1S/C30H29N3O3/c1-2-14-36-29-12-10-21(20-9-11-27-22(15-20)6-5-13-31-27)17-26(29)30(35)33-24(19-34)16-23-18-32-28-8-4-3-7-25(23)28/h3-13,15,17-18,24,32,34H,2,14,16,19H2,1H3,(H,33,35)/t24-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxy-5-quinolin-6-ylbenzamide?
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxy-5-quinolin-6-ylbenzamide has a molecular weight of 479.58 g/mol, XLogP of 5.51, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxy-5-quinolin-6-ylbenzamide is sourced from PubChem (CID 58831865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).