(7S)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C19H25N4O3+ — CID 7447070

IUPAC(7S)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CC[NH+](CCO)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2
InChIInChI=1S/C19H24N4O3/c1-13-18-15(11-14(12-16(18)25)17-3-2-10-26-17)21-19(20-13)23-6-4-22(5-7-23)8-9-24/h2-3,10,14,24H,4-9,11-12H2,1H3/p+1/t14-/m0/s1
InChIKeySNYBMLUVYNNPOL-AWEZNQCLSA-O
MW357.43 g/mol
LogP-0.01
Rot. Bonds4

About (7S)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

(7S)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 7447070) has the molecular formula C19H25N4O3+ and a molecular weight of 357.43 g/mol. Its IUPAC name is (7S)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID7447070
Molecular FormulaC19H25N4O3+
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name(7S)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CC[NH+](CCO)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2
InChIInChI=1S/C19H24N4O3/c1-13-18-15(11-14(12-16(18)25)17-3-2-10-26-17)21-19(20-13)23-6-4-22(5-7-23)8-9-24/h2-3,10,14,24H,4-9,11-12H2,1H3/p+1/t14-/m0/s1
InChIKeySNYBMLUVYNNPOL-AWEZNQCLSA-O
XLogP-0.01
TPSA83.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7S)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Launch Full Analysis

Related Compounds

(7R)-7-(furan-2-yl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 40961693
7-(furan-2-yl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 2990960
4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 4873963
2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 4873973
(7S)-7-(furan-2-yl)-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7601691
(7R)-7-(furan-2-yl)-4-methyl-2-[(3R)-3-methylpiperidin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 100870300
2-(2-ethylpiperidin-1-yl)-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 16652999
4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 17036503
(7S)-4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 29160251
7-(furan-2-yl)-4-(methylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 17168734
(7S)-4-(ethylamino)-7-(furan-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 29160235
4-[(7S)-7-(furan-2-yl)-4-(methylamino)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 41286472

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 7447070) is (7S)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CC[NH+](CCO)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2.
What is the InChIKey of (7S)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is SNYBMLUVYNNPOL-AWEZNQCLSA-O. The full InChI is InChI=1S/C19H24N4O3/c1-13-18-15(11-14(12-16(18)25)17-3-2-10-26-17)21-19(20-13)23-6-4-22(5-7-23)8-9-24/h2-3,10,14,24H,4-9,11-12H2,1H3/p+1/t14-/m0/s1.
What are the key properties of (7S)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
(7S)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 357.43 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 7447070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).