N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide

C16H17N3O5 — CID 146040739

IUPACN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide
SMILESCn1cnc2cc(C(=O)N[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)ccc2c1=O
InChIInChI=1S/C16H17N3O5/c1-19-7-17-10-4-8(2-3-9(10)16(19)22)15(21)18-11-5-23-14-12(20)6-24-13(11)14/h2-4,7,11-14,20H,5-6H2,1H3,(H,18,21)/t11-,12-,13-,14-/m1/s1
InChIKeyLFYDXCYDIGQENJ-AAVRWANBSA-N
MW331.33 g/mol
LogP-0.81
Rot. Bonds2

About N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide

N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide (PubChem CID 146040739) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide
PubChem CID146040739
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide
SMILESCn1cnc2cc(C(=O)N[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)ccc2c1=O
InChIInChI=1S/C16H17N3O5/c1-19-7-17-10-4-8(2-3-9(10)16(19)22)15(21)18-11-5-23-14-12(20)6-24-13(11)14/h2-4,7,11-14,20H,5-6H2,1H3,(H,18,21)/t11-,12-,13-,14-/m1/s1
InChIKeyLFYDXCYDIGQENJ-AAVRWANBSA-N
XLogP-0.81
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3aS,4S,7aR)-2-methylsulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl]-3-methyl-4-oxoquinazoline-7-carboxamide
CID 146040923
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(1,2,4-triazol-4-yl)benzamide
CID 156585551
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-4-methylbenzamide
CID 155912978
N-[(3S,3aR,6S,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 155913999
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-ethoxybenzamide
CID 155914260
3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide
CID 165420133
N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide
CID 58574227
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylbenzamide
CID 155917126
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalene-2-carboxamide
CID 175644184
N-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-methyl-4-oxoquinazoline-7-carboxamide
CID 134697033
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyrazol-1-ylbenzamide
CID 155912648
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide?
The IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide (CID 146040739) is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide is Cn1cnc2cc(C(=O)N[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)ccc2c1=O.
What is the InChIKey of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide?
The InChIKey is LFYDXCYDIGQENJ-AAVRWANBSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-19-7-17-10-4-8(2-3-9(10)16(19)22)15(21)18-11-5-23-14-12(20)6-24-13(11)14/h2-4,7,11-14,20H,5-6H2,1H3,(H,18,21)/t11-,12-,13-,14-/m1/s1.
What are the key properties of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide?
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide has a molecular weight of 331.33 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 146040739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).