ethyl 2-[[(3S)-1,4-dioxo-1-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentan-3-yl]carbamoylamino]propanoate

C24H33N5O6 — CID 142840151

IUPACethyl 2-[[(3S)-1,4-dioxo-1-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentan-3-yl]carbamoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(C)=O
InChIInChI=1S/C24H33N5O6/c1-4-35-22(32)15(2)25-23(33)26-20(16(3)30)13-21(31)28-11-9-18(10-12-28)29-14-17-7-5-6-8-19(17)27-24(29)34/h5-8,15,18,20H,4,9-14H2,1-3H3,(H,27,34)(H2,25,26,33)/t15?,20-/m0/s1
InChIKeyZLXXJNMXZISLQW-MBABXSBOSA-N
MW487.56 g/mol
LogP1.62
Rot. Bonds8

About ethyl 2-[[(3S)-1,4-dioxo-1-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentan-3-yl]carbamoylamino]propanoate

ethyl 2-[[(3S)-1,4-dioxo-1-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentan-3-yl]carbamoylamino]propanoate (PubChem CID 142840151) has the molecular formula C24H33N5O6 and a molecular weight of 487.56 g/mol. Its IUPAC name is ethyl 2-[[(3S)-1,4-dioxo-1-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentan-3-yl]carbamoylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[(3S)-1,4-dioxo-1-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentan-3-yl]carbamoylamino]propanoate
PubChem CID142840151
Molecular FormulaC24H33N5O6
Molecular Weight487.56 g/mol
Exact Mass487.24
IUPAC Nameethyl 2-[[(3S)-1,4-dioxo-1-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentan-3-yl]carbamoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(C)=O
InChIInChI=1S/C24H33N5O6/c1-4-35-22(32)15(2)25-23(33)26-20(16(3)30)13-21(31)28-11-9-18(10-12-28)29-14-17-7-5-6-8-19(17)27-24(29)34/h5-8,15,18,20H,4,9-14H2,1-3H3,(H,27,34)(H2,25,26,33)/t15?,20-/m0/s1
InChIKeyZLXXJNMXZISLQW-MBABXSBOSA-N
XLogP1.62
TPSA137.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[(3S)-1,4-dioxo-1-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentan-3-yl]carbamoylamino]propanoate with MolForge

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Related Compounds

1-(2,4-dimethylphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea
CID 58864395
1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-(3-ethylphenyl)urea
CID 58864318
phenyl N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]carbamate
CID 58864407
1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-(2-phenylethyl)urea
CID 58864251
ethyl 2-[1-[(2R)-2-[(3,4-dichlorophenyl)methyl]-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butanoyl]piperidin-4-yl]acetate
CID 22945614
2-amino-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione
CID 21102108
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
4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butanal
CID 87696645
4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]piperidine-1-carboxamide
CID 71055661
tert-butyl N-[1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(1-piperidin-4-ylpiperidin-1-ium-1-yl)butan-2-yl]carbamate
CID 69107412
ethyl 2-[4-[4-[3-(4-bromo-3,5-dimethylphenyl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoyl]piperazin-1-yl]piperidin-1-yl]acetate
CID 10440163
1-(2-methoxyphenyl)-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butane-1,4-dione
CID 21109796

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(3S)-1,4-dioxo-1-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentan-3-yl]carbamoylamino]propanoate?
The IUPAC name of ethyl 2-[[(3S)-1,4-dioxo-1-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentan-3-yl]carbamoylamino]propanoate (CID 142840151) is ethyl 2-[[(3S)-1,4-dioxo-1-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentan-3-yl]carbamoylamino]propanoate.
What is the SMILES notation for ethyl 2-[[(3S)-1,4-dioxo-1-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentan-3-yl]carbamoylamino]propanoate?
The canonical SMILES for ethyl 2-[[(3S)-1,4-dioxo-1-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentan-3-yl]carbamoylamino]propanoate is CCOC(=O)C(C)NC(=O)N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(C)=O.
What is the InChIKey of ethyl 2-[[(3S)-1,4-dioxo-1-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentan-3-yl]carbamoylamino]propanoate?
The InChIKey is ZLXXJNMXZISLQW-MBABXSBOSA-N. The full InChI is InChI=1S/C24H33N5O6/c1-4-35-22(32)15(2)25-23(33)26-20(16(3)30)13-21(31)28-11-9-18(10-12-28)29-14-17-7-5-6-8-19(17)27-24(29)34/h5-8,15,18,20H,4,9-14H2,1-3H3,(H,27,34)(H2,25,26,33)/t15?,20-/m0/s1.
What are the key properties of ethyl 2-[[(3S)-1,4-dioxo-1-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentan-3-yl]carbamoylamino]propanoate?
ethyl 2-[[(3S)-1,4-dioxo-1-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentan-3-yl]carbamoylamino]propanoate has a molecular weight of 487.56 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(3S)-1,4-dioxo-1-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]pentan-3-yl]carbamoylamino]propanoate is sourced from PubChem (CID 142840151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).