[2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2-benzylpyrrolidin-1-yl)methanone

C29H30N4O — CID 86297240

IUPAC[2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2-benzylpyrrolidin-1-yl)methanone
SMILESNC1=Nc2cc(C(=O)N3CCCC3Cc3ccccc3)ccc2CN1C1Cc2ccccc2C1
InChIInChI=1S/C29H30N4O/c30-29-31-27-18-23(28(34)32-14-6-11-25(32)15-20-7-2-1-3-8-20)12-13-24(27)19-33(29)26-16-21-9-4-5-10-22(21)17-26/h1-5,7-10,12-13,18,25-26H,6,11,14-17,19H2,(H2,30,31)
InChIKeyXGSUNVPMRICULU-UHFFFAOYSA-N
MW450.59 g/mol
LogP4.46
Rot. Bonds4

About [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2-benzylpyrrolidin-1-yl)methanone

[2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2-benzylpyrrolidin-1-yl)methanone (PubChem CID 86297240) has the molecular formula C29H30N4O and a molecular weight of 450.59 g/mol. Its IUPAC name is [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2-benzylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2-benzylpyrrolidin-1-yl)methanone
PubChem CID86297240
Molecular FormulaC29H30N4O
Molecular Weight450.59 g/mol
Exact Mass450.24
IUPAC Name[2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2-benzylpyrrolidin-1-yl)methanone
SMILESNC1=Nc2cc(C(=O)N3CCCC3Cc3ccccc3)ccc2CN1C1Cc2ccccc2C1
InChIInChI=1S/C29H30N4O/c30-29-31-27-18-23(28(34)32-14-6-11-25(32)15-20-7-2-1-3-8-20)12-13-24(27)19-33(29)26-16-21-9-4-5-10-22(21)17-26/h1-5,7-10,12-13,18,25-26H,6,11,14-17,19H2,(H2,30,31)
InChIKeyXGSUNVPMRICULU-UHFFFAOYSA-N
XLogP4.46
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2-benzylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2-benzylpyrrolidin-1-yl)methanone (CID 86297240) is [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2-benzylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2-benzylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2-benzylpyrrolidin-1-yl)methanone is NC1=Nc2cc(C(=O)N3CCCC3Cc3ccccc3)ccc2CN1C1Cc2ccccc2C1.
What is the InChIKey of [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2-benzylpyrrolidin-1-yl)methanone?
The InChIKey is XGSUNVPMRICULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O/c30-29-31-27-18-23(28(34)32-14-6-11-25(32)15-20-7-2-1-3-8-20)12-13-24(27)19-33(29)26-16-21-9-4-5-10-22(21)17-26/h1-5,7-10,12-13,18,25-26H,6,11,14-17,19H2,(H2,30,31).
What are the key properties of [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2-benzylpyrrolidin-1-yl)methanone?
[2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2-benzylpyrrolidin-1-yl)methanone has a molecular weight of 450.59 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2-benzylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 86297240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).