N-methyl-4-[2-(3-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide

C24H23N5O2 — CID 57403007

IUPACN-methyl-4-[2-(3-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(C(C)C)c4)ncc3c2)ccn1
InChIInChI=1S/C24H23N5O2/c1-15(2)16-5-4-6-18(11-16)28-24-27-14-17-12-19(7-8-21(17)29-24)31-20-9-10-26-22(13-20)23(30)25-3/h4-15H,1-3H3,(H,25,30)(H,27,28,29)
InChIKeyAIABXHFALAUHBW-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.04
Rot. Bonds6

About N-methyl-4-[2-(3-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide

N-methyl-4-[2-(3-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide (PubChem CID 57403007) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-methyl-4-[2-(3-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-(3-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
PubChem CID57403007
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-methyl-4-[2-(3-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(C(C)C)c4)ncc3c2)ccn1
InChIInChI=1S/C24H23N5O2/c1-15(2)16-5-4-6-18(11-16)28-24-27-14-17-12-19(7-8-21(17)29-24)31-20-9-10-26-22(13-20)23(30)25-3/h4-15H,1-3H3,(H,25,30)(H,27,28,29)
InChIKeyAIABXHFALAUHBW-UHFFFAOYSA-N
XLogP5.04
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(3-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[2-(3-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide (CID 57403007) is N-methyl-4-[2-(3-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[2-(3-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[2-(3-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(C(C)C)c4)ncc3c2)ccn1.
What is the InChIKey of N-methyl-4-[2-(3-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
The InChIKey is AIABXHFALAUHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-15(2)16-5-4-6-18(11-16)28-24-27-14-17-12-19(7-8-21(17)29-24)31-20-9-10-26-22(13-20)23(30)25-3/h4-15H,1-3H3,(H,25,30)(H,27,28,29).
What are the key properties of N-methyl-4-[2-(3-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
N-methyl-4-[2-(3-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(3-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 57403007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).