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

C22H26ClN5O — CID 72706737

IUPAC[1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol
SMILESCN(C)c1nc(CCc2cccc(N3CCC(CO)C3)n2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H26ClN5O/c1-27(2)22-18-12-16(23)6-8-19(18)25-20(26-22)9-7-17-4-3-5-21(24-17)28-11-10-15(13-28)14-29/h3-6,8,12,15,29H,7,9-11,13-14H2,1-2H3
InChIKeyWPLOYIGOFLANIX-UHFFFAOYSA-N
MW411.94 g/mol
LogP3.35
Rot. Bonds6

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

[1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol (PubChem CID 72706737) has the molecular formula C22H26ClN5O and a molecular weight of 411.94 g/mol. Its IUPAC name is [1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol
PubChem CID72706737
Molecular FormulaC22H26ClN5O
Molecular Weight411.94 g/mol
Exact Mass411.18
IUPAC Name[1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol
SMILESCN(C)c1nc(CCc2cccc(N3CCC(CO)C3)n2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H26ClN5O/c1-27(2)22-18-12-16(23)6-8-19(18)25-20(26-22)9-7-17-4-3-5-21(24-17)28-11-10-15(13-28)14-29/h3-6,8,12,15,29H,7,9-11,13-14H2,1-2H3
InChIKeyWPLOYIGOFLANIX-UHFFFAOYSA-N
XLogP3.35
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol (CID 72706737) is [1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol is CN(C)c1nc(CCc2cccc(N3CCC(CO)C3)n2)nc2ccc(Cl)cc12.
What is the InChIKey of [1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol?
The InChIKey is WPLOYIGOFLANIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O/c1-27(2)22-18-12-16(23)6-8-19(18)25-20(26-22)9-7-17-4-3-5-21(24-17)28-11-10-15(13-28)14-29/h3-6,8,12,15,29H,7,9-11,13-14H2,1-2H3.
What are the key properties of [1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol?
[1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol has a molecular weight of 411.94 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 72706737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).