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

C20H27N5O3 — CID 29160251

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

(7S)-4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 29160251) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is (7S)-4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

• Compound Name: (7S)-4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
• PubChem CID: 29160251
• Molecular Formula: C20H27N5O3
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.21
• IUPAC Name: (7S)-4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
• SMILES: CCNc1nc(N2CCN(CCO)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2
• InChI: 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)/t14-/m0/s1
• InChIKey: OGIHNCHWTMFWNN-AWEZNQCLSA-N
• XLogP: 1.53
• TPSA: 94.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (7S)-4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?

The IUPAC name of (7S)-4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (CID 29160251) is (7S)-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 (7S)-4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?

The canonical SMILES for (7S)-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)C[C@@H](c1ccco1)C2.

What is the InChIKey of (7S)-4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?

The InChIKey is OGIHNCHWTMFWNN-AWEZNQCLSA-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)/t14-/m0/s1.

What are the key properties of (7S)-4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?

(7S)-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 (7S)-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 29160251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).