6-chloro-N,N-dimethyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-amine

C20H22ClN5O — CID 72706535

IUPAC6-chloro-N,N-dimethyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-amine
SMILESCN(C)c1nc(OCc2cccc(N3CCCC3)n2)nc2ccc(Cl)cc12
InChIInChI=1S/C20H22ClN5O/c1-25(2)19-16-12-14(21)8-9-17(16)23-20(24-19)27-13-15-6-5-7-18(22-15)26-10-3-4-11-26/h5-9,12H,3-4,10-11,13H2,1-2H3
InChIKeyYAGANCSKSMZIPD-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.92
Rot. Bonds5

About 6-chloro-N,N-dimethyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-amine

6-chloro-N,N-dimethyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-amine (PubChem CID 72706535) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is 6-chloro-N,N-dimethyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N,N-dimethyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-amine
PubChem CID72706535
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name6-chloro-N,N-dimethyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-amine
SMILESCN(C)c1nc(OCc2cccc(N3CCCC3)n2)nc2ccc(Cl)cc12
InChIInChI=1S/C20H22ClN5O/c1-25(2)19-16-12-14(21)8-9-17(16)23-20(24-19)27-13-15-6-5-7-18(22-15)26-10-3-4-11-26/h5-9,12H,3-4,10-11,13H2,1-2H3
InChIKeyYAGANCSKSMZIPD-UHFFFAOYSA-N
XLogP3.92
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-amine?
The IUPAC name of 6-chloro-N,N-dimethyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-amine (CID 72706535) is 6-chloro-N,N-dimethyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N,N-dimethyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-amine?
The canonical SMILES for 6-chloro-N,N-dimethyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-amine is CN(C)c1nc(OCc2cccc(N3CCCC3)n2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-N,N-dimethyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-amine?
The InChIKey is YAGANCSKSMZIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-25(2)19-16-12-14(21)8-9-17(16)23-20(24-19)27-13-15-6-5-7-18(22-15)26-10-3-4-11-26/h5-9,12H,3-4,10-11,13H2,1-2H3.
What are the key properties of 6-chloro-N,N-dimethyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-amine?
6-chloro-N,N-dimethyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-amine has a molecular weight of 383.88 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methoxy]quinazolin-4-amine is sourced from PubChem (CID 72706535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).