2-[[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]methyl]-3-(6-phenylmethoxy-3-pyridinyl)propanoic acid

C30H33N5O5 — CID 174485789

IUPAC2-[[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]methyl]-3-(6-phenylmethoxy-3-pyridinyl)propanoic acid
SMILESO=C(O)C(CNC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)Cc1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C30H33N5O5/c36-28(37)24(16-22-10-11-27(31-17-22)40-20-21-6-2-1-3-7-21)18-32-29(38)34-14-12-25(13-15-34)35-19-23-8-4-5-9-26(23)33-30(35)39/h1-11,17,24-25H,12-16,18-20H2,(H,32,38)(H,33,39)(H,36,37)
InChIKeyMCPBFRSGIKZQBO-UHFFFAOYSA-N
MW543.62 g/mol
LogP4.13
Rot. Bonds9

About 2-[[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]methyl]-3-(6-phenylmethoxy-3-pyridinyl)propanoic acid

2-[[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]methyl]-3-(6-phenylmethoxy-3-pyridinyl)propanoic acid (PubChem CID 174485789) has the molecular formula C30H33N5O5 and a molecular weight of 543.62 g/mol. Its IUPAC name is 2-[[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]methyl]-3-(6-phenylmethoxy-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-[[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]methyl]-3-(6-phenylmethoxy-3-pyridinyl)propanoic acid
PubChem CID174485789
Molecular FormulaC30H33N5O5
Molecular Weight543.62 g/mol
Exact Mass543.25
IUPAC Name2-[[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]methyl]-3-(6-phenylmethoxy-3-pyridinyl)propanoic acid
SMILESO=C(O)C(CNC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)Cc1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C30H33N5O5/c36-28(37)24(16-22-10-11-27(31-17-22)40-20-21-6-2-1-3-7-21)18-32-29(38)34-14-12-25(13-15-34)35-19-23-8-4-5-9-26(23)33-30(35)39/h1-11,17,24-25H,12-16,18-20H2,(H,32,38)(H,33,39)(H,36,37)
InChIKeyMCPBFRSGIKZQBO-UHFFFAOYSA-N
XLogP4.13
TPSA124.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.62
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]methyl]-3-(6-phenylmethoxy-3-pyridinyl)propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[(5-bromo-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoic acid
CID 174512371
4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]piperidine-1-carboxamide
CID 71055661
N-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 71055645
2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]-3-[1-(2-trimethylsilylethylsulfonyl)indazol-5-yl]propanoic acid
CID 21102232
N-(2-methyl-3-oxo-8-phenylmethoxy-4,5-dihydro-1H-2-benzazepin-4-yl)-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11978197
3-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoic acid
CID 21102288
2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 68710822
N-[3-(3,4-dimethylphenyl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 59260969
4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-oxo-3-(6-oxo-1H-pyridin-3-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 24863325
N-[(2R)-3-(1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 24863333
(2R)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid
CID 91050771
[2-[4-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoyl]piperazin-1-yl]-1,3-thiazol-5-yl] hydrogen carbonate
CID 90843778

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]methyl]-3-(6-phenylmethoxy-3-pyridinyl)propanoic acid?
The IUPAC name of 2-[[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]methyl]-3-(6-phenylmethoxy-3-pyridinyl)propanoic acid (CID 174485789) is 2-[[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]methyl]-3-(6-phenylmethoxy-3-pyridinyl)propanoic acid.
What is the SMILES notation for 2-[[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]methyl]-3-(6-phenylmethoxy-3-pyridinyl)propanoic acid?
The canonical SMILES for 2-[[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]methyl]-3-(6-phenylmethoxy-3-pyridinyl)propanoic acid is O=C(O)C(CNC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)Cc1ccc(OCc2ccccc2)nc1.
What is the InChIKey of 2-[[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]methyl]-3-(6-phenylmethoxy-3-pyridinyl)propanoic acid?
The InChIKey is MCPBFRSGIKZQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O5/c36-28(37)24(16-22-10-11-27(31-17-22)40-20-21-6-2-1-3-7-21)18-32-29(38)34-14-12-25(13-15-34)35-19-23-8-4-5-9-26(23)33-30(35)39/h1-11,17,24-25H,12-16,18-20H2,(H,32,38)(H,33,39)(H,36,37).
What are the key properties of 2-[[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]methyl]-3-(6-phenylmethoxy-3-pyridinyl)propanoic acid?
2-[[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]methyl]-3-(6-phenylmethoxy-3-pyridinyl)propanoic acid has a molecular weight of 543.62 g/mol, XLogP of 4.13, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]methyl]-3-(6-phenylmethoxy-3-pyridinyl)propanoic acid is sourced from PubChem (CID 174485789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).