7-[3-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]-4-N-methylquinazoline-2,4-diamine;7-[2-(2-methoxyethoxy)-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine

C38H40F4N8O5 — CID 69476960

IUPAC7-[3-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]-4-N-methylquinazoline-2,4-diamine;7-[2-(2-methoxyethoxy)-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(N)nc2cc(-c3c(OCCOC)cccc3C(F)(F)F)ccc12.CNc1nc(N)nc2cc(-c3cc(F)c(OC)c(OCCOC)c3)ccc12
InChIInChI=1S/C19H19F3N4O2.C19H21FN4O3/c1-24-17-12-7-6-11(10-14(12)25-18(23)26-17)16-13(19(20,21)22)4-3-5-15(16)28-9-8-27-2;1-22-18-13-5-4-11(9-15(13)23-19(21)24-18)12-8-14(20)17(26-3)16(10-12)27-7-6-25-2/h3-7,10H,8-9H2,1-2H3,(H3,23,24,25,26);4-5,8-10H,6-7H2,1-3H3,(H3,21,22,23,24)
InChIKeyLANMBMIKCAWKRM-UHFFFAOYSA-N
MW764.78 g/mol
LogP7.06
Rot. Bonds13

About 7-[3-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]-4-N-methylquinazoline-2,4-diamine;7-[2-(2-methoxyethoxy)-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine

7-[3-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]-4-N-methylquinazoline-2,4-diamine;7-[2-(2-methoxyethoxy)-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine (PubChem CID 69476960) has the molecular formula C38H40F4N8O5 and a molecular weight of 764.78 g/mol. Its IUPAC name is 7-[3-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]-4-N-methylquinazoline-2,4-diamine;7-[2-(2-methoxyethoxy)-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name7-[3-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]-4-N-methylquinazoline-2,4-diamine;7-[2-(2-methoxyethoxy)-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine
PubChem CID69476960
Molecular FormulaC38H40F4N8O5
Molecular Weight764.78 g/mol
Exact Mass764.31
IUPAC Name7-[3-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]-4-N-methylquinazoline-2,4-diamine;7-[2-(2-methoxyethoxy)-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(N)nc2cc(-c3c(OCCOC)cccc3C(F)(F)F)ccc12.CNc1nc(N)nc2cc(-c3cc(F)c(OC)c(OCCOC)c3)ccc12
InChIInChI=1S/C19H19F3N4O2.C19H21FN4O3/c1-24-17-12-7-6-11(10-14(12)25-18(23)26-17)16-13(19(20,21)22)4-3-5-15(16)28-9-8-27-2;1-22-18-13-5-4-11(9-15(13)23-19(21)24-18)12-8-14(20)17(26-3)16(10-12)27-7-6-25-2/h3-7,10H,8-9H2,1-2H3,(H3,23,24,25,26);4-5,8-10H,6-7H2,1-3H3,(H3,21,22,23,24)
InChIKeyLANMBMIKCAWKRM-UHFFFAOYSA-N
XLogP7.06
TPSA173.81 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500764.78
LogP ≤ 57.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[3-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]-4-N-methylquinazoline-2,4-diamine;7-[2-(2-methoxyethoxy)-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[3-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]-4-N-methylquinazoline-2,4-diamine;7-[2-(2-methoxyethoxy)-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine?
The IUPAC name of 7-[3-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]-4-N-methylquinazoline-2,4-diamine;7-[2-(2-methoxyethoxy)-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine (CID 69476960) is 7-[3-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]-4-N-methylquinazoline-2,4-diamine;7-[2-(2-methoxyethoxy)-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 7-[3-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]-4-N-methylquinazoline-2,4-diamine;7-[2-(2-methoxyethoxy)-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 7-[3-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]-4-N-methylquinazoline-2,4-diamine;7-[2-(2-methoxyethoxy)-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine is CNc1nc(N)nc2cc(-c3c(OCCOC)cccc3C(F)(F)F)ccc12.CNc1nc(N)nc2cc(-c3cc(F)c(OC)c(OCCOC)c3)ccc12.
What is the InChIKey of 7-[3-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]-4-N-methylquinazoline-2,4-diamine;7-[2-(2-methoxyethoxy)-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine?
The InChIKey is LANMBMIKCAWKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2.C19H21FN4O3/c1-24-17-12-7-6-11(10-14(12)25-18(23)26-17)16-13(19(20,21)22)4-3-5-15(16)28-9-8-27-2;1-22-18-13-5-4-11(9-15(13)23-19(21)24-18)12-8-14(20)17(26-3)16(10-12)27-7-6-25-2/h3-7,10H,8-9H2,1-2H3,(H3,23,24,25,26);4-5,8-10H,6-7H2,1-3H3,(H3,21,22,23,24).
What are the key properties of 7-[3-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]-4-N-methylquinazoline-2,4-diamine;7-[2-(2-methoxyethoxy)-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine?
7-[3-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]-4-N-methylquinazoline-2,4-diamine;7-[2-(2-methoxyethoxy)-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine has a molecular weight of 764.78 g/mol, XLogP of 7.06, 13 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]-4-N-methylquinazoline-2,4-diamine;7-[2-(2-methoxyethoxy)-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 69476960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).