ethyl 4-(6-methyl-4-oxo-1-propyl-2H-quinazolin-3-yl)piperidine-1-carboxylate

C20H29N3O3 — CID 139800834

IUPACethyl 4-(6-methyl-4-oxo-1-propyl-2H-quinazolin-3-yl)piperidine-1-carboxylate
SMILESCCCN1CN(C2CCN(C(=O)OCC)CC2)C(=O)c2cc(C)ccc21
InChIInChI=1S/C20H29N3O3/c1-4-10-22-14-23(19(24)17-13-15(3)6-7-18(17)22)16-8-11-21(12-9-16)20(25)26-5-2/h6-7,13,16H,4-5,8-12,14H2,1-3H3
InChIKeyVKBQUYXHRXXUSF-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.25
Rot. Bonds4

About ethyl 4-(6-methyl-4-oxo-1-propyl-2H-quinazolin-3-yl)piperidine-1-carboxylate

ethyl 4-(6-methyl-4-oxo-1-propyl-2H-quinazolin-3-yl)piperidine-1-carboxylate (PubChem CID 139800834) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is ethyl 4-(6-methyl-4-oxo-1-propyl-2H-quinazolin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-methyl-4-oxo-1-propyl-2H-quinazolin-3-yl)piperidine-1-carboxylate
PubChem CID139800834
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Nameethyl 4-(6-methyl-4-oxo-1-propyl-2H-quinazolin-3-yl)piperidine-1-carboxylate
SMILESCCCN1CN(C2CCN(C(=O)OCC)CC2)C(=O)c2cc(C)ccc21
InChIInChI=1S/C20H29N3O3/c1-4-10-22-14-23(19(24)17-13-15(3)6-7-18(17)22)16-8-11-21(12-9-16)20(25)26-5-2/h6-7,13,16H,4-5,8-12,14H2,1-3H3
InChIKeyVKBQUYXHRXXUSF-UHFFFAOYSA-N
XLogP3.25
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(2,4-dimethylphenyl)-4-ethylsulfanyl-2,5-dioxopyrrol-1-yl]piperidine-1-carboxylate
CID 110577937
ethyl 4-[3-(2,4-dimethylphenyl)-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]piperidine-1-carboxylate
CID 110577931
butyl 4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylate
CID 175809562
ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate
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ethyl 4-(2-oxo-4-sulfanylpyrrolidin-1-yl)piperidine-1-carboxylate
CID 168708224
ethyl (7S)-15-methyl-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
CID 54457585
propyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
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CID 107928001
ethyl 4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidine-1-carboxylate
CID 119103137
ethyl 4-[3-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]piperidine-1-carboxylate
CID 110571712
ethyl 4-[4-[(4-methylphenyl)methylcarbamoyl]-3-oxo-1H-isoindol-2-yl]piperidine-1-carboxylate
CID 5309591
ethyl 4-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074667

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-methyl-4-oxo-1-propyl-2H-quinazolin-3-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(6-methyl-4-oxo-1-propyl-2H-quinazolin-3-yl)piperidine-1-carboxylate (CID 139800834) is ethyl 4-(6-methyl-4-oxo-1-propyl-2H-quinazolin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-methyl-4-oxo-1-propyl-2H-quinazolin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(6-methyl-4-oxo-1-propyl-2H-quinazolin-3-yl)piperidine-1-carboxylate is CCCN1CN(C2CCN(C(=O)OCC)CC2)C(=O)c2cc(C)ccc21.
What is the InChIKey of ethyl 4-(6-methyl-4-oxo-1-propyl-2H-quinazolin-3-yl)piperidine-1-carboxylate?
The InChIKey is VKBQUYXHRXXUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-10-22-14-23(19(24)17-13-15(3)6-7-18(17)22)16-8-11-21(12-9-16)20(25)26-5-2/h6-7,13,16H,4-5,8-12,14H2,1-3H3.
What are the key properties of ethyl 4-(6-methyl-4-oxo-1-propyl-2H-quinazolin-3-yl)piperidine-1-carboxylate?
ethyl 4-(6-methyl-4-oxo-1-propyl-2H-quinazolin-3-yl)piperidine-1-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-methyl-4-oxo-1-propyl-2H-quinazolin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 139800834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).