2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide

C24H23N5O2 — CID 69461106

IUPAC2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide
SMILESCc1ccc(Oc2ccc(Nc3ncnc4ccc(C(C)C(N)=O)cc34)cc2C)cn1
InChIInChI=1S/C24H23N5O2/c1-14-10-18(6-9-22(14)31-19-7-4-15(2)26-12-19)29-24-20-11-17(16(3)23(25)30)5-8-21(20)27-13-28-24/h4-13,16H,1-3H3,(H2,25,30)(H,27,28,29)
InChIKeyVIFLBZQOEPCYEO-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.77
Rot. Bonds6

About 2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide

2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide (PubChem CID 69461106) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide.

Molecular Properties

Compound Name2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide
PubChem CID69461106
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide
SMILESCc1ccc(Oc2ccc(Nc3ncnc4ccc(C(C)C(N)=O)cc34)cc2C)cn1
InChIInChI=1S/C24H23N5O2/c1-14-10-18(6-9-22(14)31-19-7-4-15(2)26-12-19)29-24-20-11-17(16(3)23(25)30)5-8-21(20)27-13-28-24/h4-13,16H,1-3H3,(H2,25,30)(H,27,28,29)
InChIKeyVIFLBZQOEPCYEO-UHFFFAOYSA-N
XLogP4.77
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-iodo-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;hydrochloride
CID 66623307
6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
CID 22484234
ethyl N-[(Z)-3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]prop-2-enyl]carbamate
CID 90656920
[3-ethyl-5-hydroxy-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-1-yn-3-yl]urea
CID 22484187
6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol
CID 143005182
2-methoxy-N-[(E)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]ethenyl]acetamide
CID 102251503
5-hydroxy-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypentanamide
CID 90981522
3-[[2-(dimethylamino)acetyl]amino]-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide
CID 11613210
5-hydroxy-N-methyl-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-2-ynamide
CID 162431826
N,N-dimethyl-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide
CID 73070143
6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 58140156
3-methylidene-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pyrrolidin-2-one
CID 164561561

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide?
The IUPAC name of 2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide (CID 69461106) is 2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide.
What is the SMILES notation for 2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide?
The canonical SMILES for 2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide is Cc1ccc(Oc2ccc(Nc3ncnc4ccc(C(C)C(N)=O)cc34)cc2C)cn1.
What is the InChIKey of 2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide?
The InChIKey is VIFLBZQOEPCYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-14-10-18(6-9-22(14)31-19-7-4-15(2)26-12-19)29-24-20-11-17(16(3)23(25)30)5-8-21(20)27-13-28-24/h4-13,16H,1-3H3,(H2,25,30)(H,27,28,29).
What are the key properties of 2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide?
2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide has a molecular weight of 413.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide is sourced from PubChem (CID 69461106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).