6,8-bis(2-chlorophenyl)-7-(methoxymethoxy)-N-propan-2-ylquinazolin-2-amine

C25H23Cl2N3O2 — CID 11999308

IUPAC6,8-bis(2-chlorophenyl)-7-(methoxymethoxy)-N-propan-2-ylquinazolin-2-amine
SMILESCOCOc1c(-c2ccccc2Cl)cc2cnc(NC(C)C)nc2c1-c1ccccc1Cl
InChIInChI=1S/C25H23Cl2N3O2/c1-15(2)29-25-28-13-16-12-19(17-8-4-6-10-20(17)26)24(32-14-31-3)22(23(16)30-25)18-9-5-7-11-21(18)27/h4-13,15H,14H2,1-3H3,(H,28,29,30)
InChIKeyYVMWTORIVKVUJA-UHFFFAOYSA-N
MW468.38 g/mol
LogP7.07
Rot. Bonds7

About 6,8-bis(2-chlorophenyl)-7-(methoxymethoxy)-N-propan-2-ylquinazolin-2-amine

6,8-bis(2-chlorophenyl)-7-(methoxymethoxy)-N-propan-2-ylquinazolin-2-amine (PubChem CID 11999308) has the molecular formula C25H23Cl2N3O2 and a molecular weight of 468.38 g/mol. Its IUPAC name is 6,8-bis(2-chlorophenyl)-7-(methoxymethoxy)-N-propan-2-ylquinazolin-2-amine.

Molecular Properties

Compound Name6,8-bis(2-chlorophenyl)-7-(methoxymethoxy)-N-propan-2-ylquinazolin-2-amine
PubChem CID11999308
Molecular FormulaC25H23Cl2N3O2
Molecular Weight468.38 g/mol
Exact Mass467.12
IUPAC Name6,8-bis(2-chlorophenyl)-7-(methoxymethoxy)-N-propan-2-ylquinazolin-2-amine
SMILESCOCOc1c(-c2ccccc2Cl)cc2cnc(NC(C)C)nc2c1-c1ccccc1Cl
InChIInChI=1S/C25H23Cl2N3O2/c1-15(2)29-25-28-13-16-12-19(17-8-4-6-10-20(17)26)24(32-14-31-3)22(23(16)30-25)18-9-5-7-11-21(18)27/h4-13,15H,14H2,1-3H3,(H,28,29,30)
InChIKeyYVMWTORIVKVUJA-UHFFFAOYSA-N
XLogP7.07
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.38
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxyacetonitrile
CID 11998085
[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl] trifluoromethanesulfonate
CID 87254048
6-(2-chlorophenyl)-8-methyl-2-(3-methylsulfonylbutan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 162314511
2-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propanal
CID 91241360
5-[6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 52942781
3-[7-methoxy-2-(propan-2-ylamino)-8-pyridin-2-ylquinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 66922089
2-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methylpentanal
CID 91429644
6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine
CID 87636483
[3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol
CID 54117056
4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 54064351
6-(2-chlorophenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 135381982
2-anilino-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 141354763

Frequently Asked Questions

What is the IUPAC name of 6,8-bis(2-chlorophenyl)-7-(methoxymethoxy)-N-propan-2-ylquinazolin-2-amine?
The IUPAC name of 6,8-bis(2-chlorophenyl)-7-(methoxymethoxy)-N-propan-2-ylquinazolin-2-amine (CID 11999308) is 6,8-bis(2-chlorophenyl)-7-(methoxymethoxy)-N-propan-2-ylquinazolin-2-amine.
What is the SMILES notation for 6,8-bis(2-chlorophenyl)-7-(methoxymethoxy)-N-propan-2-ylquinazolin-2-amine?
The canonical SMILES for 6,8-bis(2-chlorophenyl)-7-(methoxymethoxy)-N-propan-2-ylquinazolin-2-amine is COCOc1c(-c2ccccc2Cl)cc2cnc(NC(C)C)nc2c1-c1ccccc1Cl.
What is the InChIKey of 6,8-bis(2-chlorophenyl)-7-(methoxymethoxy)-N-propan-2-ylquinazolin-2-amine?
The InChIKey is YVMWTORIVKVUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O2/c1-15(2)29-25-28-13-16-12-19(17-8-4-6-10-20(17)26)24(32-14-31-3)22(23(16)30-25)18-9-5-7-11-21(18)27/h4-13,15H,14H2,1-3H3,(H,28,29,30).
What are the key properties of 6,8-bis(2-chlorophenyl)-7-(methoxymethoxy)-N-propan-2-ylquinazolin-2-amine?
6,8-bis(2-chlorophenyl)-7-(methoxymethoxy)-N-propan-2-ylquinazolin-2-amine has a molecular weight of 468.38 g/mol, XLogP of 7.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-bis(2-chlorophenyl)-7-(methoxymethoxy)-N-propan-2-ylquinazolin-2-amine is sourced from PubChem (CID 11999308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).