2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline

C14H17N3O — CID 174283606

IUPAC2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline
SMILESCOc1ncc2cc(CN3CCCC3)ccc2n1
InChIInChI=1S/C14H17N3O/c1-18-14-15-9-12-8-11(4-5-13(12)16-14)10-17-6-2-3-7-17/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyPHFYZKJUNYJZPI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.23
Rot. Bonds3

About 2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline

2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline (PubChem CID 174283606) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline.

Molecular Properties

Compound Name2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline
PubChem CID174283606
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline
SMILESCOc1ncc2cc(CN3CCCC3)ccc2n1
InChIInChI=1S/C14H17N3O/c1-18-14-15-9-12-8-11(4-5-13(12)16-14)10-17-6-2-3-7-17/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyPHFYZKJUNYJZPI-UHFFFAOYSA-N
XLogP2.23
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-(piperidin-1-ylmethyl)pyrimidine
CID 163258215
2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline
CID 174284496
2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline
CID 69089727
2-cyclopropyl-6-(pyrrolidin-1-ylmethyl)quinoline
CID 174283470
3-methoxypropyl 1-[[2-(4-tert-butylcyclohexyl)oxyquinazolin-6-yl]methyl]piperidine-4-carboxylate
CID 146331769
6-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-amine
CID 23022463
2-cyclopentyl-6-(pyrrolidin-1-ylmethyl)quinoline
CID 174283618
5-(azetidin-1-ylmethyl)-2-methoxybenzaldehyde
CID 153327457
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline
CID 56722322
4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride
CID 141070239
2-[4-[3-(6-methoxyquinazolin-2-yl)oxypropyl]piperazin-1-yl]ethanol;hydrochloride
CID 157322851

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline?
The IUPAC name of 2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline (CID 174283606) is 2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline.
What is the SMILES notation for 2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline?
The canonical SMILES for 2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline is COc1ncc2cc(CN3CCCC3)ccc2n1.
What is the InChIKey of 2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline?
The InChIKey is PHFYZKJUNYJZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-14-15-9-12-8-11(4-5-13(12)16-14)10-17-6-2-3-7-17/h4-5,8-9H,2-3,6-7,10H2,1H3.
What are the key properties of 2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline?
2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline has a molecular weight of 243.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline is sourced from PubChem (CID 174283606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).