[4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone

C25H29N5O — CID 54587179

IUPAC[4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(-c2cccc3cnc(NC4CCC(C(=O)N5CCCC5)CC4)nc23)cn1
InChIInChI=1S/C25H29N5O/c1-17-7-8-19(15-26-17)22-6-4-5-20-16-27-25(29-23(20)22)28-21-11-9-18(10-12-21)24(31)30-13-2-3-14-30/h4-8,15-16,18,21H,2-3,9-14H2,1H3,(H,27,28,29)
InChIKeyYYDXTCLVCUQGMO-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.59
Rot. Bonds4

About [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone

[4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone (PubChem CID 54587179) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone
PubChem CID54587179
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name[4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(-c2cccc3cnc(NC4CCC(C(=O)N5CCCC5)CC4)nc23)cn1
InChIInChI=1S/C25H29N5O/c1-17-7-8-19(15-26-17)22-6-4-5-20-16-27-25(29-23(20)22)28-21-11-9-18(10-12-21)24(31)30-13-2-3-14-30/h4-8,15-16,18,21H,2-3,9-14H2,1H3,(H,27,28,29)
InChIKeyYYDXTCLVCUQGMO-UHFFFAOYSA-N
XLogP4.59
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone (CID 54587179) is [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone is Cc1ccc(-c2cccc3cnc(NC4CCC(C(=O)N5CCCC5)CC4)nc23)cn1.
What is the InChIKey of [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone?
The InChIKey is YYDXTCLVCUQGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-17-7-8-19(15-26-17)22-6-4-5-20-16-27-25(29-23(20)22)28-21-11-9-18(10-12-21)24(31)30-13-2-3-14-30/h4-8,15-16,18,21H,2-3,9-14H2,1H3,(H,27,28,29).
What are the key properties of [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone?
[4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone has a molecular weight of 415.54 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[8-(6-methyl-3-pyridinyl)quinazolin-2-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 54587179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).