2-cyclopropyl-4-[3-fluoro-3-(3-methoxyphenyl)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline

C24H26FN3O3 — CID 90237608

IUPAC2-cyclopropyl-4-[3-fluoro-3-(3-methoxyphenyl)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
SMILESCOc1cccc(C2(F)CCN(c3nc(C4CC4)nc4cc(OC)c(OC)cc34)C2)c1
InChIInChI=1S/C24H26FN3O3/c1-29-17-6-4-5-16(11-17)24(25)9-10-28(14-24)23-18-12-20(30-2)21(31-3)13-19(18)26-22(27-23)15-7-8-15/h4-6,11-13,15H,7-10,14H2,1-3H3
InChIKeyOBXBPCQXHNIMOD-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.61
Rot. Bonds6

About 2-cyclopropyl-4-[3-fluoro-3-(3-methoxyphenyl)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline

2-cyclopropyl-4-[3-fluoro-3-(3-methoxyphenyl)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline (PubChem CID 90237608) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-fluoro-3-(3-methoxyphenyl)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-fluoro-3-(3-methoxyphenyl)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
PubChem CID90237608
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name2-cyclopropyl-4-[3-fluoro-3-(3-methoxyphenyl)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
SMILESCOc1cccc(C2(F)CCN(c3nc(C4CC4)nc4cc(OC)c(OC)cc34)C2)c1
InChIInChI=1S/C24H26FN3O3/c1-29-17-6-4-5-16(11-17)24(25)9-10-28(14-24)23-18-12-20(30-2)21(31-3)13-19(18)26-22(27-23)15-7-8-15/h4-6,11-13,15H,7-10,14H2,1-3H3
InChIKeyOBXBPCQXHNIMOD-UHFFFAOYSA-N
XLogP4.61
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-fluoro-3-(3-methoxyphenyl)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline?
The IUPAC name of 2-cyclopropyl-4-[3-fluoro-3-(3-methoxyphenyl)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline (CID 90237608) is 2-cyclopropyl-4-[3-fluoro-3-(3-methoxyphenyl)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline.
What is the SMILES notation for 2-cyclopropyl-4-[3-fluoro-3-(3-methoxyphenyl)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline?
The canonical SMILES for 2-cyclopropyl-4-[3-fluoro-3-(3-methoxyphenyl)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline is COc1cccc(C2(F)CCN(c3nc(C4CC4)nc4cc(OC)c(OC)cc34)C2)c1.
What is the InChIKey of 2-cyclopropyl-4-[3-fluoro-3-(3-methoxyphenyl)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline?
The InChIKey is OBXBPCQXHNIMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-29-17-6-4-5-16(11-17)24(25)9-10-28(14-24)23-18-12-20(30-2)21(31-3)13-19(18)26-22(27-23)15-7-8-15/h4-6,11-13,15H,7-10,14H2,1-3H3.
What are the key properties of 2-cyclopropyl-4-[3-fluoro-3-(3-methoxyphenyl)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline?
2-cyclopropyl-4-[3-fluoro-3-(3-methoxyphenyl)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline has a molecular weight of 423.49 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-fluoro-3-(3-methoxyphenyl)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline is sourced from PubChem (CID 90237608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).