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

C21H24ClN5O — CID 72706676

IUPAC1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol
SMILESCN(C)c1nc(CCc2cccc(N3CCC(O)C3)n2)nc2ccc(Cl)cc12
InChIInChI=1S/C21H24ClN5O/c1-26(2)21-17-12-14(22)6-8-18(17)24-19(25-21)9-7-15-4-3-5-20(23-15)27-11-10-16(28)13-27/h3-6,8,12,16,28H,7,9-11,13H2,1-2H3
InChIKeyHRXGVTDMSMASOR-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.10
Rot. Bonds5

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

1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 72706676) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is 1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol
PubChem CID72706676
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC Name1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol
SMILESCN(C)c1nc(CCc2cccc(N3CCC(O)C3)n2)nc2ccc(Cl)cc12
InChIInChI=1S/C21H24ClN5O/c1-26(2)21-17-12-14(22)6-8-18(17)24-19(25-21)9-7-15-4-3-5-20(23-15)27-11-10-16(28)13-27/h3-6,8,12,16,28H,7,9-11,13H2,1-2H3
InChIKeyHRXGVTDMSMASOR-UHFFFAOYSA-N
XLogP3.10
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[(6-Chloro-4-phenylquinazolin-2-yl)amino]propan-1-ol
CID 1904923
6-Chloro-n,n-dimethyl-2-((6-(pyrrolidin-1-yl)pyridin-2-yl)methoxy)quinazolin-4-amine
CID 72706535
(e)-4-(6-Chloro-2-(2-(6-(pyrrolidin-1-yl)pyridin-2-yl)vinyl)quinazolin-4-yl)morpholine
CID 72706537
4-(6-Chloro-2-(2-(6-(pyrrolidin-1-yl)pyridin-2-yl)ethyl)quinazolin-4-yl)morpholine
CID 72706603
4-(2-(2-(6-(Pyrrolidin-1-yl)pyridin-2-yl)ethyl)quinazolin-4-yl)morpholine
CID 72706604
6-Chloro-4-methyl-2-morpholinoquinoline
CID 1477208
3-[2-(4-Chloro-phenyl)-quinazolin-4-ylamino]-propan-1-ol
CID 1580594
2-[4-(6-Chloro-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol
CID 665288
6-Chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline
CID 659436
2-[[2-(4-Chloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
CID 2951954
6-Chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 24759518
2-[[6-Chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
CID 25178344

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol (CID 72706676) is 1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol is CN(C)c1nc(CCc2cccc(N3CCC(O)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-ol?
The InChIKey is HRXGVTDMSMASOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O/c1-26(2)21-17-12-14(22)6-8-18(17)24-19(25-21)9-7-15-4-3-5-20(23-15)27-11-10-16(28)13-27/h3-6,8,12,16,28H,7,9-11,13H2,1-2H3.
What are the key properties of 1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol?
1-[6-[2-[6-chloro-4-(dimethylamino)quinazolin-2-yl]ethyl]-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 397.91 g/mol, XLogP of 3.10, 5 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-ol is sourced from PubChem (CID 72706676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).