7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline

C19H18ClN3O — CID 86876437

IUPAC7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline
SMILESCOc1ccc(C2CCN(c3ncnc4cc(Cl)ccc34)C2)cc1
InChIInChI=1S/C19H18ClN3O/c1-24-16-5-2-13(3-6-16)14-8-9-23(11-14)19-17-7-4-15(20)10-18(17)21-12-22-19/h2-7,10,12,14H,8-9,11H2,1H3
InChIKeyIUETYXIDTXDDMM-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.29
Rot. Bonds3

About 7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline

7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline (PubChem CID 86876437) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline.

Molecular Properties

Compound Name7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline
PubChem CID86876437
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline
SMILESCOc1ccc(C2CCN(c3ncnc4cc(Cl)ccc34)C2)cc1
InChIInChI=1S/C19H18ClN3O/c1-24-16-5-2-13(3-6-16)14-8-9-23(11-14)19-17-7-4-15(20)10-18(17)21-12-22-19/h2-7,10,12,14H,8-9,11H2,1H3
InChIKeyIUETYXIDTXDDMM-UHFFFAOYSA-N
XLogP4.29
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline?
The IUPAC name of 7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline (CID 86876437) is 7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline.
What is the SMILES notation for 7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline?
The canonical SMILES for 7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline is COc1ccc(C2CCN(c3ncnc4cc(Cl)ccc34)C2)cc1.
What is the InChIKey of 7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline?
The InChIKey is IUETYXIDTXDDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-24-16-5-2-13(3-6-16)14-8-9-23(11-14)19-17-7-4-15(20)10-18(17)21-12-22-19/h2-7,10,12,14H,8-9,11H2,1H3.
What are the key properties of 7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline?
7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline has a molecular weight of 339.83 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline is sourced from PubChem (CID 86876437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).