3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate

C24H28N2O5P- — CID 154030021

IUPAC3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NCCCOP(=O)([O-])OC(C)C
InChIInChI=1S/C24H29N2O5P/c1-17(2)31-32(28,29)30-15-9-14-25-23(27)16-21-18(3)26-22-13-8-7-12-20(22)24(21)19-10-5-4-6-11-19/h4-8,10-13,17H,9,14-16H2,1-3H3,(H,25,27)(H,28,29)/p-1
InChIKeySMXAYZZIAGBERM-UHFFFAOYSA-M
MW455.47 g/mol
LogP4.17
Rot. Bonds10

About 3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate

3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate (PubChem CID 154030021) has the molecular formula C24H28N2O5P- and a molecular weight of 455.47 g/mol. Its IUPAC name is 3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate.

Molecular Properties

Compound Name3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate
PubChem CID154030021
Molecular FormulaC24H28N2O5P-
Molecular Weight455.47 g/mol
Exact Mass455.17
IUPAC Name3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NCCCOP(=O)([O-])OC(C)C
InChIInChI=1S/C24H29N2O5P/c1-17(2)31-32(28,29)30-15-9-14-25-23(27)16-21-18(3)26-22-13-8-7-12-20(22)24(21)19-10-5-4-6-11-19/h4-8,10-13,17H,9,14-16H2,1-3H3,(H,25,27)(H,28,29)/p-1
InChIKeySMXAYZZIAGBERM-UHFFFAOYSA-M
XLogP4.17
TPSA100.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110878183
2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
CID 112759088
4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl propan-2-yl phosphate;methane
CID 159690152
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112788926
N-(1-hydroxypropan-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110887326
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 25496428
methyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate
CID 112791596
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112771444
4-[[2-(1-phenylnaphthalen-2-yl)acetyl]amino]butyl propan-2-yl hydrogen phosphate
CID 122435992
methylamino 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 146289922
N-(2-ethoxyphenyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112790890
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112794841

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate?
The IUPAC name of 3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate (CID 154030021) is 3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate.
What is the SMILES notation for 3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate?
The canonical SMILES for 3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate is Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NCCCOP(=O)([O-])OC(C)C.
What is the InChIKey of 3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate?
The InChIKey is SMXAYZZIAGBERM-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H29N2O5P/c1-17(2)31-32(28,29)30-15-9-14-25-23(27)16-21-18(3)26-22-13-8-7-12-20(22)24(21)19-10-5-4-6-11-19/h4-8,10-13,17H,9,14-16H2,1-3H3,(H,25,27)(H,28,29)/p-1.
What are the key properties of 3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate?
3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate has a molecular weight of 455.47 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate is sourced from PubChem (CID 154030021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).