4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-(methoxymethyl)morpholine

C20H24ClN3O2 — CID 133349338

IUPAC4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-(methoxymethyl)morpholine
SMILESCOCC1CN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)CCO1
InChIInChI=1S/C20H24ClN3O2/c1-25-13-16-12-24(9-10-26-16)20-17-7-2-3-8-18(17)22-19(23-20)14-5-4-6-15(21)11-14/h4-6,11,16H,2-3,7-10,12-13H2,1H3
InChIKeyMSIRBPCZGKZWOD-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.53
Rot. Bonds4

About 4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-(methoxymethyl)morpholine

4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-(methoxymethyl)morpholine (PubChem CID 133349338) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-(methoxymethyl)morpholine.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-(methoxymethyl)morpholine
PubChem CID133349338
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-(methoxymethyl)morpholine
SMILESCOCC1CN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)CCO1
InChIInChI=1S/C20H24ClN3O2/c1-25-13-16-12-24(9-10-26-16)20-17-7-2-3-8-18(17)22-19(23-20)14-5-4-6-15(21)11-14/h4-6,11,16H,2-3,7-10,12-13H2,1H3
InChIKeyMSIRBPCZGKZWOD-UHFFFAOYSA-N
XLogP3.53
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133349177
4-[2-(2-methoxyethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 155955250
(3aR,7aS)-1-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-7-one
CID 100897390
2-(3-chlorophenyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486503
[4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine
CID 56896849
[4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 133349146
3-[2-(methoxymethyl)morpholin-4-yl]pyrazine-2-carbonitrile
CID 71996195
3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133281000
2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
CID 133460489
2-(furan-2-yl)-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
CID 133347022
2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66525351
2-[[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethanol
CID 133349066

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-(methoxymethyl)morpholine?
The IUPAC name of 4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-(methoxymethyl)morpholine (CID 133349338) is 4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-(methoxymethyl)morpholine.
What is the SMILES notation for 4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-(methoxymethyl)morpholine?
The canonical SMILES for 4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-(methoxymethyl)morpholine is COCC1CN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)CCO1.
What is the InChIKey of 4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-(methoxymethyl)morpholine?
The InChIKey is MSIRBPCZGKZWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-25-13-16-12-24(9-10-26-16)20-17-7-2-3-8-18(17)22-19(23-20)14-5-4-6-15(21)11-14/h4-6,11,16H,2-3,7-10,12-13H2,1H3.
What are the key properties of 4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-(methoxymethyl)morpholine?
4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-(methoxymethyl)morpholine has a molecular weight of 373.88 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-(methoxymethyl)morpholine is sourced from PubChem (CID 133349338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).