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

C20H27N5O3 — CID 17036503

IUPAC4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCCNc1nc(N2CCN(CCO)CC2)nc2c1C(=O)CC(c1ccco1)C2
InChIInChI=1S/C20H27N5O3/c1-2-21-19-18-15(12-14(13-16(18)27)17-4-3-11-28-17)22-20(23-19)25-7-5-24(6-8-25)9-10-26/h3-4,11,14,26H,2,5-10,12-13H2,1H3,(H,21,22,23)
InChIKeyOGIHNCHWTMFWNN-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.53
Rot. Bonds6

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

4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 17036503) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID17036503
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCCNc1nc(N2CCN(CCO)CC2)nc2c1C(=O)CC(c1ccco1)C2
InChIInChI=1S/C20H27N5O3/c1-2-21-19-18-15(12-14(13-16(18)27)17-4-3-11-28-17)22-20(23-19)25-7-5-24(6-8-25)9-10-26/h3-4,11,14,26H,2,5-10,12-13H2,1H3,(H,21,22,23)
InChIKeyOGIHNCHWTMFWNN-UHFFFAOYSA-N
XLogP1.53
TPSA94.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (CID 17036503) is 4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one is CCNc1nc(N2CCN(CCO)CC2)nc2c1C(=O)CC(c1ccco1)C2.
What is the InChIKey of 4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is OGIHNCHWTMFWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-2-21-19-18-15(12-14(13-16(18)27)17-4-3-11-28-17)22-20(23-19)25-7-5-24(6-8-25)9-10-26/h3-4,11,14,26H,2,5-10,12-13H2,1H3,(H,21,22,23).
What are the key properties of 4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 385.47 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 17036503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).