3-ethyl-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione

C20H21N5O3 — CID 120729563

IUPAC3-ethyl-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2cc(C(=O)N3CCNCC3c3cccnc3)ccc2c1=O
InChIInChI=1S/C20H21N5O3/c1-2-24-19(27)15-6-5-13(10-16(15)23-20(24)28)18(26)25-9-8-22-12-17(25)14-4-3-7-21-11-14/h3-7,10-11,17,22H,2,8-9,12H2,1H3,(H,23,28)
InChIKeyDDMBCFFYLCQKNU-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.89
Rot. Bonds3

About 3-ethyl-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione

3-ethyl-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione (PubChem CID 120729563) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-ethyl-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-ethyl-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione
PubChem CID120729563
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name3-ethyl-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2cc(C(=O)N3CCNCC3c3cccnc3)ccc2c1=O
InChIInChI=1S/C20H21N5O3/c1-2-24-19(27)15-6-5-13(10-16(15)23-20(24)28)18(26)25-9-8-22-12-17(25)14-4-3-7-21-11-14/h3-7,10-11,17,22H,2,8-9,12H2,1H3,(H,23,28)
InChIKeyDDMBCFFYLCQKNU-UHFFFAOYSA-N
XLogP0.89
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620
[4-(4-ethylpiperazin-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120732288
(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729585
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 120731082
[4-fluoro-3-(methylsulfanylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730890
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539
(4-bromo-3-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732014
[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120729515
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731720
N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 120731142

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-ethyl-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione (CID 120729563) is 3-ethyl-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-ethyl-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-ethyl-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione is CCn1c(=O)[nH]c2cc(C(=O)N3CCNCC3c3cccnc3)ccc2c1=O.
What is the InChIKey of 3-ethyl-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione?
The InChIKey is DDMBCFFYLCQKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-2-24-19(27)15-6-5-13(10-16(15)23-20(24)28)18(26)25-9-8-22-12-17(25)14-4-3-7-21-11-14/h3-7,10-11,17,22H,2,8-9,12H2,1H3,(H,23,28).
What are the key properties of 3-ethyl-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione?
3-ethyl-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione has a molecular weight of 379.42 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 120729563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).