[1-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol

C21H23ClN6O — CID 58547019

IUPAC[1-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2C2CN(c3ncc4ccc(Cl)cc4n3)C2)CC1
InChIInChI=1S/C21H23ClN6O/c22-17-2-1-15-10-25-21(26-18(15)9-17)28-11-16(12-28)19-20(24-6-5-23-19)27-7-3-14(13-29)4-8-27/h1-2,5-6,9-10,14,16,29H,3-4,7-8,11-13H2
InChIKeyJPONKHZZIRPGDS-UHFFFAOYSA-N
MW410.91 g/mol
LogP2.89
Rot. Bonds4

About [1-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol

[1-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 58547019) has the molecular formula C21H23ClN6O and a molecular weight of 410.91 g/mol. Its IUPAC name is [1-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID58547019
Molecular FormulaC21H23ClN6O
Molecular Weight410.91 g/mol
Exact Mass410.16
IUPAC Name[1-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2C2CN(c3ncc4ccc(Cl)cc4n3)C2)CC1
InChIInChI=1S/C21H23ClN6O/c22-17-2-1-15-10-25-21(26-18(15)9-17)28-11-16(12-28)19-20(24-6-5-23-19)27-7-3-14(13-29)4-8-27/h1-2,5-6,9-10,14,16,29H,3-4,7-8,11-13H2
InChIKeyJPONKHZZIRPGDS-UHFFFAOYSA-N
XLogP2.89
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
N-(7-chloroquinolin-4-yl)-N'-(2-piperidin-1-ylpyrimidin-4-yl)propane-1,3-diamine
CID 71736286
N-(7-chloroquinolin-4-yl)-N'-(2-morpholin-4-ylpyrimidin-4-yl)propane-1,3-diamine
CID 71736287
N-(7-chloro-4-quinolyl)-N'-(4-morpholinopyrimidin-2-yl)propane-1,3-diamine
CID 76314307
N-(7-chloro-4-quinolyl)-N'-[4-(1-piperidyl)pyrimidin-2-yl]propane-1,3-diamine
CID 76328769
Pyrazine-Pyridine deriv. 8
CID 5330397
7-chloro-N-(2-pyridinylmethyl)-4-quinazolinamine
CID 1490545
N2-(3-chlorophenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 20826932
[1-[3-(1-Quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
CID 58547742
N-[6-(6-amino-4-chloro-3-pyridinyl)-2-(4-morpholinyl)-4-pyrimidinyl]-3-quinolinamine
CID 59507663
N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)hexane-1,6-diamine
CID 70682872
N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 70682873

Frequently Asked Questions

What is the IUPAC name of [1-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol (CID 58547019) is [1-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nccnc2C2CN(c3ncc4ccc(Cl)cc4n3)C2)CC1.
What is the InChIKey of [1-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is JPONKHZZIRPGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O/c22-17-2-1-15-10-25-21(26-18(15)9-17)28-11-16(12-28)19-20(24-6-5-23-19)27-7-3-14(13-29)4-8-27/h1-2,5-6,9-10,14,16,29H,3-4,7-8,11-13H2.
What are the key properties of [1-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
[1-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 410.91 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 58547019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).