4-(2,3-dihydro-1H-isoindol-1-yl)-6-[2-(methylaminomethyl)phenyl]quinazolin-2-amine

C24H23N5 — CID 173023332

IUPAC4-(2,3-dihydro-1H-isoindol-1-yl)-6-[2-(methylaminomethyl)phenyl]quinazolin-2-amine
SMILESCNCc1ccccc1-c1ccc2nc(N)nc(C3NCc4ccccc43)c2c1
InChIInChI=1S/C24H23N5/c1-26-13-16-6-2-4-8-18(16)15-10-11-21-20(12-15)23(29-24(25)28-21)22-19-9-5-3-7-17(19)14-27-22/h2-12,22,26-27H,13-14H2,1H3,(H2,25,28,29)
InChIKeyKIIBFYFQQPCQHS-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.79
Rot. Bonds4

About 4-(2,3-dihydro-1H-isoindol-1-yl)-6-[2-(methylaminomethyl)phenyl]quinazolin-2-amine

4-(2,3-dihydro-1H-isoindol-1-yl)-6-[2-(methylaminomethyl)phenyl]quinazolin-2-amine (PubChem CID 173023332) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-isoindol-1-yl)-6-[2-(methylaminomethyl)phenyl]quinazolin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-isoindol-1-yl)-6-[2-(methylaminomethyl)phenyl]quinazolin-2-amine
PubChem CID173023332
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name4-(2,3-dihydro-1H-isoindol-1-yl)-6-[2-(methylaminomethyl)phenyl]quinazolin-2-amine
SMILESCNCc1ccccc1-c1ccc2nc(N)nc(C3NCc4ccccc43)c2c1
InChIInChI=1S/C24H23N5/c1-26-13-16-6-2-4-8-18(16)15-10-11-21-20(12-15)23(29-24(25)28-21)22-19-9-5-3-7-17(19)14-27-22/h2-12,22,26-27H,13-14H2,1H3,(H2,25,28,29)
InChIKeyKIIBFYFQQPCQHS-UHFFFAOYSA-N
XLogP3.79
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-isoindol-1-yl)-6-[2-(methylaminomethyl)phenyl]quinazolin-2-amine?
The IUPAC name of 4-(2,3-dihydro-1H-isoindol-1-yl)-6-[2-(methylaminomethyl)phenyl]quinazolin-2-amine (CID 173023332) is 4-(2,3-dihydro-1H-isoindol-1-yl)-6-[2-(methylaminomethyl)phenyl]quinazolin-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-isoindol-1-yl)-6-[2-(methylaminomethyl)phenyl]quinazolin-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-isoindol-1-yl)-6-[2-(methylaminomethyl)phenyl]quinazolin-2-amine is CNCc1ccccc1-c1ccc2nc(N)nc(C3NCc4ccccc43)c2c1.
What is the InChIKey of 4-(2,3-dihydro-1H-isoindol-1-yl)-6-[2-(methylaminomethyl)phenyl]quinazolin-2-amine?
The InChIKey is KIIBFYFQQPCQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-26-13-16-6-2-4-8-18(16)15-10-11-21-20(12-15)23(29-24(25)28-21)22-19-9-5-3-7-17(19)14-27-22/h2-12,22,26-27H,13-14H2,1H3,(H2,25,28,29).
What are the key properties of 4-(2,3-dihydro-1H-isoindol-1-yl)-6-[2-(methylaminomethyl)phenyl]quinazolin-2-amine?
4-(2,3-dihydro-1H-isoindol-1-yl)-6-[2-(methylaminomethyl)phenyl]quinazolin-2-amine has a molecular weight of 381.48 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-isoindol-1-yl)-6-[2-(methylaminomethyl)phenyl]quinazolin-2-amine is sourced from PubChem (CID 173023332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).