2'-chloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]

C17H17ClN2O2 — CID 58075513

IUPAC2'-chloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]
SMILESCC1(c2ccccc2)CC2(Cc3cnc(Cl)nc31)OCCO2
InChIInChI=1S/C17H17ClN2O2/c1-16(13-5-3-2-4-6-13)11-17(21-7-8-22-17)9-12-10-19-15(18)20-14(12)16/h2-6,10H,7-9,11H2,1H3
InChIKeyXBPCSJQYLGQXGE-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.13
Rot. Bonds1

About 2'-chloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]

2'-chloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline] (PubChem CID 58075513) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2'-chloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline].

Molecular Properties

Compound Name2'-chloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]
PubChem CID58075513
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2'-chloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]
SMILESCC1(c2ccccc2)CC2(Cc3cnc(Cl)nc31)OCCO2
InChIInChI=1S/C17H17ClN2O2/c1-16(13-5-3-2-4-6-13)11-17(21-7-8-22-17)9-12-10-19-15(18)20-14(12)16/h2-6,10H,7-9,11H2,1H3
InChIKeyXBPCSJQYLGQXGE-UHFFFAOYSA-N
XLogP3.13
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2'-chloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline] with MolForge

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Related Compounds

(6aS,7S,10aS)-10a-(3-fluorophenyl)-7-methyl-5,6a,7,9,10,10a-hexahydro-6H-spiro[benzo[h]quinazoline-8,2'-[1,3]dioxolane]
CID 118291194
(6aS,7S,10aS)-10a-(4-fluorophenyl)-7-methyl-5,6a,7,9,10,10a-hexahydro-6H-spiro[benzo[h]quinazoline-8,2'-[1,3]dioxolane]
CID 118291335
(6aS,7S,10aS)-2-(2,6-difluorophenyl)-7-methyl-10a-phenyl-5,6a,7,9,10,10a-hexahydro-6H-spiro[benzo[h]quinazoline-8,2'-[1,3]dioxolane]
CID 118291664
2-Chloro-8-(4-fluoro-2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)quinazoline
CID 163498680
2',4'-Dichloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]
CID 58075682
2'-(6-benzyl-2-pyridinyl)spiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinazoline]
CID 68077542
(6'aS,7'S,10'aS)-7',10'a-dimethyl-2'-phenylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline]
CID 68174034
(6'aS,7'S,10'aS)-7'-ethyl-10'a-methyl-2'-phenylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline]
CID 68174242
(6aS,7S,10aS)-7-methyl-10a-phenyl-5,6a,7,9,10,10a-hexahydro-6H-spiro[benzo[h]quinazoline-8,2'-[1,3]dioxolane]
CID 118291278
(6aS,7S,10aS)-N,N-diethyl-7-methyl-10a-phenyl-5,6a,7,9,10,10a-hexahydro-6H-spiro[benzo[h]quinazoline-8,2'-[1,3]dioxolan]-2-amine
CID 118291316
(6aS,7S,10aS)-7-methyl-10a-phenyl-2-(pyrimidin-5-yl)-5,6a,7,9,10,10a-hexahydro-6H-spiro[benzo[h]quinazoline-8,2'-[1,3]dioxolane]
CID 118291600
(6'aS,7'S,10'aS)-7'-methyl-2',10'a-diphenylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline]
CID 118291626

Frequently Asked Questions

What is the IUPAC name of 2'-chloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]?
The IUPAC name of 2'-chloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline] (CID 58075513) is 2'-chloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline].
What is the SMILES notation for 2'-chloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]?
The canonical SMILES for 2'-chloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline] is CC1(c2ccccc2)CC2(Cc3cnc(Cl)nc31)OCCO2.
What is the InChIKey of 2'-chloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]?
The InChIKey is XBPCSJQYLGQXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-16(13-5-3-2-4-6-13)11-17(21-7-8-22-17)9-12-10-19-15(18)20-14(12)16/h2-6,10H,7-9,11H2,1H3.
What are the key properties of 2'-chloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline]?
2'-chloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline] has a molecular weight of 316.79 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-chloro-8'-methyl-8'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydroquinazoline] is sourced from PubChem (CID 58075513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).