2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline

C14H16ClN3O2 — CID 103536646

IUPAC2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline
SMILESCOC1CN(c2nc(Cl)nc3ccccc23)CC1OC
InChIInChI=1S/C14H16ClN3O2/c1-19-11-7-18(8-12(11)20-2)13-9-5-3-4-6-10(9)16-14(15)17-13/h3-6,11-12H,7-8H2,1-2H3
InChIKeySEJNYXASMXEWHJ-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.13
Rot. Bonds3

About 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline

2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline (PubChem CID 103536646) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline.

Molecular Properties

Compound Name2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline
PubChem CID103536646
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline
SMILESCOC1CN(c2nc(Cl)nc3ccccc23)CC1OC
InChIInChI=1S/C14H16ClN3O2/c1-19-11-7-18(8-12(11)20-2)13-9-5-3-4-6-10(9)16-14(15)17-13/h3-6,11-12H,7-8H2,1-2H3
InChIKeySEJNYXASMXEWHJ-UHFFFAOYSA-N
XLogP2.13
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline?
The IUPAC name of 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline (CID 103536646) is 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline.
What is the SMILES notation for 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline?
The canonical SMILES for 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline is COC1CN(c2nc(Cl)nc3ccccc23)CC1OC.
What is the InChIKey of 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline?
The InChIKey is SEJNYXASMXEWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-19-11-7-18(8-12(11)20-2)13-9-5-3-4-6-10(9)16-14(15)17-13/h3-6,11-12H,7-8H2,1-2H3.
What are the key properties of 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline?
2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline has a molecular weight of 293.75 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline is sourced from PubChem (CID 103536646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).