4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline

C21H22N4 — CID 68722852

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline
SMILESc1ccc2c(c1)CCN(c1nc(N3CCCC3)nc3ccccc13)C2
InChIInChI=1S/C21H22N4/c1-2-8-17-15-25(14-11-16(17)7-1)20-18-9-3-4-10-19(18)22-21(23-20)24-12-5-6-13-24/h1-4,7-10H,5-6,11-15H2
InChIKeyWTEYLZWYCCAFKM-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.79
Rot. Bonds2

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline

4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline (PubChem CID 68722852) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline
PubChem CID68722852
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline
SMILESc1ccc2c(c1)CCN(c1nc(N3CCCC3)nc3ccccc13)C2
InChIInChI=1S/C21H22N4/c1-2-8-17-15-25(14-11-16(17)7-1)20-18-9-3-4-10-19(18)22-21(23-20)24-12-5-6-13-24/h1-4,7-10H,5-6,11-15H2
InChIKeyWTEYLZWYCCAFKM-UHFFFAOYSA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-dihydroisoindol-2-yl)-2-piperidin-1-ylquinazoline;hydrochloride
CID 68738568
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine
CID 80749587
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine
CID 71690567
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline
CID 25144879
2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 112909449
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1S,2S)-2-(4-methylpiperazin-1-yl)cyclohexyl]quinazolin-2-amine
CID 66904724
4-chloro-2-piperidin-1-ylquinazoline
CID 15692068
2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline
CID 148519917
3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol
CID 50945732
4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 91961238
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-propylquinazolin-4-amine
CID 144787506
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine
CID 18326759

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline (CID 68722852) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline is c1ccc2c(c1)CCN(c1nc(N3CCCC3)nc3ccccc13)C2.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline?
The InChIKey is WTEYLZWYCCAFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-2-8-17-15-25(14-11-16(17)7-1)20-18-9-3-4-10-19(18)22-21(23-20)24-12-5-6-13-24/h1-4,7-10H,5-6,11-15H2.
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline has a molecular weight of 330.44 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 68722852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).