2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline

C14H16ClN3O — CID 102963258

IUPAC2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline
SMILESCOC1CCCN(c2nc(Cl)nc3ccccc23)C1
InChIInChI=1S/C14H16ClN3O/c1-19-10-5-4-8-18(9-10)13-11-6-2-3-7-12(11)16-14(15)17-13/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyPROKCBQKMOROQZ-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.90
Rot. Bonds2

About 2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline

2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline (PubChem CID 102963258) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline.

Molecular Properties

Compound Name2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline
PubChem CID102963258
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline
SMILESCOC1CCCN(c2nc(Cl)nc3ccccc23)C1
InChIInChI=1S/C14H16ClN3O/c1-19-10-5-4-8-18(9-10)13-11-6-2-3-7-12(11)16-14(15)17-13/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyPROKCBQKMOROQZ-UHFFFAOYSA-N
XLogP2.90
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline?
The IUPAC name of 2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline (CID 102963258) is 2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline.
What is the SMILES notation for 2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline?
The canonical SMILES for 2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline is COC1CCCN(c2nc(Cl)nc3ccccc23)C1.
What is the InChIKey of 2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline?
The InChIKey is PROKCBQKMOROQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-19-10-5-4-8-18(9-10)13-11-6-2-3-7-12(11)16-14(15)17-13/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of 2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline?
2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline has a molecular weight of 277.75 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline is sourced from PubChem (CID 102963258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).