(2R)-1-[[(6,7-dimethoxy-2-pyridin-4-ylquinazolin-4-yl)amino]methyl]-2,3-dihydro-1H-inden-2-ol

C25H24N4O3 — CID 142952910

IUPAC(2R)-1-[[(6,7-dimethoxy-2-pyridin-4-ylquinazolin-4-yl)amino]methyl]-2,3-dihydro-1H-inden-2-ol
SMILESCOc1cc2nc(-c3ccncc3)nc(NCC3c4ccccc4C[C@H]3O)c2cc1OC
InChIInChI=1S/C25H24N4O3/c1-31-22-12-18-20(13-23(22)32-2)28-24(15-7-9-26-10-8-15)29-25(18)27-14-19-17-6-4-3-5-16(17)11-21(19)30/h3-10,12-13,19,21,30H,11,14H2,1-2H3,(H,27,28,29)/t19?,21-/m1/s1
InChIKeySRWPUSVUBYPLTG-VGAJERRHSA-N
MW428.49 g/mol
LogP3.82
Rot. Bonds6

About (2R)-1-[[(6,7-dimethoxy-2-pyridin-4-ylquinazolin-4-yl)amino]methyl]-2,3-dihydro-1H-inden-2-ol

(2R)-1-[[(6,7-dimethoxy-2-pyridin-4-ylquinazolin-4-yl)amino]methyl]-2,3-dihydro-1H-inden-2-ol (PubChem CID 142952910) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is (2R)-1-[[(6,7-dimethoxy-2-pyridin-4-ylquinazolin-4-yl)amino]methyl]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(6,7-dimethoxy-2-pyridin-4-ylquinazolin-4-yl)amino]methyl]-2,3-dihydro-1H-inden-2-ol
PubChem CID142952910
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name(2R)-1-[[(6,7-dimethoxy-2-pyridin-4-ylquinazolin-4-yl)amino]methyl]-2,3-dihydro-1H-inden-2-ol
SMILESCOc1cc2nc(-c3ccncc3)nc(NCC3c4ccccc4C[C@H]3O)c2cc1OC
InChIInChI=1S/C25H24N4O3/c1-31-22-12-18-20(13-23(22)32-2)28-24(15-7-9-26-10-8-15)29-25(18)27-14-19-17-6-4-3-5-16(17)11-21(19)30/h3-10,12-13,19,21,30H,11,14H2,1-2H3,(H,27,28,29)/t19?,21-/m1/s1
InChIKeySRWPUSVUBYPLTG-VGAJERRHSA-N
XLogP3.82
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(6,7-dimethoxy-2-pyridin-4-ylquinazolin-4-yl)amino]methyl]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (2R)-1-[[(6,7-dimethoxy-2-pyridin-4-ylquinazolin-4-yl)amino]methyl]-2,3-dihydro-1H-inden-2-ol (CID 142952910) is (2R)-1-[[(6,7-dimethoxy-2-pyridin-4-ylquinazolin-4-yl)amino]methyl]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (2R)-1-[[(6,7-dimethoxy-2-pyridin-4-ylquinazolin-4-yl)amino]methyl]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (2R)-1-[[(6,7-dimethoxy-2-pyridin-4-ylquinazolin-4-yl)amino]methyl]-2,3-dihydro-1H-inden-2-ol is COc1cc2nc(-c3ccncc3)nc(NCC3c4ccccc4C[C@H]3O)c2cc1OC.
What is the InChIKey of (2R)-1-[[(6,7-dimethoxy-2-pyridin-4-ylquinazolin-4-yl)amino]methyl]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is SRWPUSVUBYPLTG-VGAJERRHSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-31-22-12-18-20(13-23(22)32-2)28-24(15-7-9-26-10-8-15)29-25(18)27-14-19-17-6-4-3-5-16(17)11-21(19)30/h3-10,12-13,19,21,30H,11,14H2,1-2H3,(H,27,28,29)/t19?,21-/m1/s1.
What are the key properties of (2R)-1-[[(6,7-dimethoxy-2-pyridin-4-ylquinazolin-4-yl)amino]methyl]-2,3-dihydro-1H-inden-2-ol?
(2R)-1-[[(6,7-dimethoxy-2-pyridin-4-ylquinazolin-4-yl)amino]methyl]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 428.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(6,7-dimethoxy-2-pyridin-4-ylquinazolin-4-yl)amino]methyl]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 142952910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).