3-(pyrrolidin-3-ylmethyl)-4H-quinazoline

C13H17N3 — CID 71650885

IUPAC3-(pyrrolidin-3-ylmethyl)-4H-quinazoline
SMILESC1=Nc2ccccc2CN1CC1CCNC1
InChIInChI=1S/C13H17N3/c1-2-4-13-12(3-1)9-16(10-15-13)8-11-5-6-14-7-11/h1-4,10-11,14H,5-9H2
InChIKeySOQVVTPOUCKMDR-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.77
Rot. Bonds2

About 3-(pyrrolidin-3-ylmethyl)-4H-quinazoline

3-(pyrrolidin-3-ylmethyl)-4H-quinazoline (PubChem CID 71650885) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(pyrrolidin-3-ylmethyl)-4H-quinazoline.

Molecular Properties

Compound Name3-(pyrrolidin-3-ylmethyl)-4H-quinazoline
PubChem CID71650885
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-(pyrrolidin-3-ylmethyl)-4H-quinazoline
SMILESC1=Nc2ccccc2CN1CC1CCNC1
InChIInChI=1S/C13H17N3/c1-2-4-13-12(3-1)9-16(10-15-13)8-11-5-6-14-7-11/h1-4,10-11,14H,5-9H2
InChIKeySOQVVTPOUCKMDR-UHFFFAOYSA-N
XLogP1.77
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one
CID 82239891
2-methyl-1-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 62372829
2-(pyrrolidin-3-ylmethylsulfonyl)-1,3-dihydroisoindole
CID 115049580
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753
4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 55113009
3-methyl-1-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 63524793
5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115036794
1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride
CID 56831723
3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one
CID 97169092
4-methyl-1-(pyrrolidin-3-ylmethyl)-3H-quinoxalin-2-one
CID 117030719

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-3-ylmethyl)-4H-quinazoline?
The IUPAC name of 3-(pyrrolidin-3-ylmethyl)-4H-quinazoline (CID 71650885) is 3-(pyrrolidin-3-ylmethyl)-4H-quinazoline.
What is the SMILES notation for 3-(pyrrolidin-3-ylmethyl)-4H-quinazoline?
The canonical SMILES for 3-(pyrrolidin-3-ylmethyl)-4H-quinazoline is C1=Nc2ccccc2CN1CC1CCNC1.
What is the InChIKey of 3-(pyrrolidin-3-ylmethyl)-4H-quinazoline?
The InChIKey is SOQVVTPOUCKMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-4-13-12(3-1)9-16(10-15-13)8-11-5-6-14-7-11/h1-4,10-11,14H,5-9H2.
What are the key properties of 3-(pyrrolidin-3-ylmethyl)-4H-quinazoline?
3-(pyrrolidin-3-ylmethyl)-4H-quinazoline has a molecular weight of 215.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-3-ylmethyl)-4H-quinazoline is sourced from PubChem (CID 71650885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).