1-[6-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol

C21H25N5O — CID 72706677

IUPAC1-[6-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol
SMILESCN(C)c1nc(CCc2cccc(N3CCC(O)C3)n2)nc2ccccc12
InChIInChI=1S/C21H25N5O/c1-25(2)21-17-7-3-4-8-18(17)23-19(24-21)11-10-15-6-5-9-20(22-15)26-13-12-16(27)14-26/h3-9,16,27H,10-14H2,1-2H3
InChIKeyGIZNTNWQXASMPI-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.45
Rot. Bonds5

About 1-[6-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol

1-[6-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 72706677) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-[6-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol
PubChem CID72706677
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-[6-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol
SMILESCN(C)c1nc(CCc2cccc(N3CCC(O)C3)n2)nc2ccccc12
InChIInChI=1S/C21H25N5O/c1-25(2)21-17-7-3-4-8-18(17)23-19(24-21)11-10-15-6-5-9-20(22-15)26-13-12-16(27)14-26/h3-9,16,27H,10-14H2,1-2H3
InChIKeyGIZNTNWQXASMPI-UHFFFAOYSA-N
XLogP2.45
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol (CID 72706677) is 1-[6-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol is CN(C)c1nc(CCc2cccc(N3CCC(O)C3)n2)nc2ccccc12.
What is the InChIKey of 1-[6-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is GIZNTNWQXASMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-25(2)21-17-7-3-4-8-18(17)23-19(24-21)11-10-15-6-5-9-20(22-15)26-13-12-16(27)14-26/h3-9,16,27H,10-14H2,1-2H3.
What are the key properties of 1-[6-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol?
1-[6-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 363.47 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 72706677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).