(7R)-7-(furan-2-yl)-4-methyl-2-[(3R)-3-methylpiperidin-1-yl]-7,8-dihydro-6H-quinazolin-5-one

C19H23N3O2 — CID 100870300

IUPAC(7R)-7-(furan-2-yl)-4-methyl-2-[(3R)-3-methylpiperidin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCC[C@@H](C)C2)nc2c1C(=O)C[C@H](c1ccco1)C2
InChIInChI=1S/C19H23N3O2/c1-12-5-3-7-22(11-12)19-20-13(2)18-15(21-19)9-14(10-16(18)23)17-6-4-8-24-17/h4,6,8,12,14H,3,5,7,9-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyXPVWTNBMFRKEBU-TZMCWYRMSA-N
MW325.41 g/mol
LogP3.53
Rot. Bonds2

About (7R)-7-(furan-2-yl)-4-methyl-2-[(3R)-3-methylpiperidin-1-yl]-7,8-dihydro-6H-quinazolin-5-one

(7R)-7-(furan-2-yl)-4-methyl-2-[(3R)-3-methylpiperidin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 100870300) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (7R)-7-(furan-2-yl)-4-methyl-2-[(3R)-3-methylpiperidin-1-yl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-7-(furan-2-yl)-4-methyl-2-[(3R)-3-methylpiperidin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID100870300
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(7R)-7-(furan-2-yl)-4-methyl-2-[(3R)-3-methylpiperidin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCC[C@@H](C)C2)nc2c1C(=O)C[C@H](c1ccco1)C2
InChIInChI=1S/C19H23N3O2/c1-12-5-3-7-22(11-12)19-20-13(2)18-15(21-19)9-14(10-16(18)23)17-6-4-8-24-17/h4,6,8,12,14H,3,5,7,9-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyXPVWTNBMFRKEBU-TZMCWYRMSA-N
XLogP3.53
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(furan-2-yl)-4-methyl-2-[(3R)-3-methylpiperidin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-7-(furan-2-yl)-4-methyl-2-[(3R)-3-methylpiperidin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (CID 100870300) is (7R)-7-(furan-2-yl)-4-methyl-2-[(3R)-3-methylpiperidin-1-yl]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-7-(furan-2-yl)-4-methyl-2-[(3R)-3-methylpiperidin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-7-(furan-2-yl)-4-methyl-2-[(3R)-3-methylpiperidin-1-yl]-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCC[C@@H](C)C2)nc2c1C(=O)C[C@H](c1ccco1)C2.
What is the InChIKey of (7R)-7-(furan-2-yl)-4-methyl-2-[(3R)-3-methylpiperidin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is XPVWTNBMFRKEBU-TZMCWYRMSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-5-3-7-22(11-12)19-20-13(2)18-15(21-19)9-14(10-16(18)23)17-6-4-8-24-17/h4,6,8,12,14H,3,5,7,9-11H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of (7R)-7-(furan-2-yl)-4-methyl-2-[(3R)-3-methylpiperidin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
(7R)-7-(furan-2-yl)-4-methyl-2-[(3R)-3-methylpiperidin-1-yl]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 325.41 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(furan-2-yl)-4-methyl-2-[(3R)-3-methylpiperidin-1-yl]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 100870300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).