7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one

C25H28N4O4 — CID 126898994

IUPAC7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1cnc2cc(N3CCN(C(=O)C4CCc5ccccc5O4)CC3)ccc2c1=O
InChIInChI=1S/C25H28N4O4/c1-32-15-14-29-17-26-21-16-19(7-8-20(21)24(29)30)27-10-12-28(13-11-27)25(31)23-9-6-18-4-2-3-5-22(18)33-23/h2-5,7-8,16-17,23H,6,9-15H2,1H3
InChIKeyDRORBXRZGCQAIA-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.09
Rot. Bonds5

About 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one

7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one (PubChem CID 126898994) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one
PubChem CID126898994
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1cnc2cc(N3CCN(C(=O)C4CCc5ccccc5O4)CC3)ccc2c1=O
InChIInChI=1S/C25H28N4O4/c1-32-15-14-29-17-26-21-16-19(7-8-20(21)24(29)30)27-10-12-28(13-11-27)25(31)23-9-6-18-4-2-3-5-22(18)33-23/h2-5,7-8,16-17,23H,6,9-15H2,1H3
InChIKeyDRORBXRZGCQAIA-UHFFFAOYSA-N
XLogP2.09
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one with MolForge

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Related Compounds

7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896825
3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one
CID 126899009
N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide
CID 126898976
3-(2-methoxyethyl)-7-[4-(1-methyl-2-oxopyridine-3-carbonyl)piperazin-1-yl]quinazolin-4-one
CID 126898950
7-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896774
3-(2-methoxyethyl)-7-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126899096
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641
3-(2-methoxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126899053
7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896832
7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898540
3-(2-methoxyethyl)-7-[4-(oxan-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126899210
3,4-dihydro-2H-chromen-2-yl-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 70710470

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one?
The IUPAC name of 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one (CID 126898994) is 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one.
What is the SMILES notation for 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one?
The canonical SMILES for 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one is COCCn1cnc2cc(N3CCN(C(=O)C4CCc5ccccc5O4)CC3)ccc2c1=O.
What is the InChIKey of 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one?
The InChIKey is DRORBXRZGCQAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-32-15-14-29-17-26-21-16-19(7-8-20(21)24(29)30)27-10-12-28(13-11-27)25(31)23-9-6-18-4-2-3-5-22(18)33-23/h2-5,7-8,16-17,23H,6,9-15H2,1H3.
What are the key properties of 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one?
7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one has a molecular weight of 448.52 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one is sourced from PubChem (CID 126898994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).